SCHEMBL9621465

SCHEMBL9621465

O=C(NCCCl)Oc1ncnc2nc[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.47
▸ CDC7 O00311 3/20 0.46
▸ DBF4 Q9UBU7 3/20 0.46
▸ CYP3A4 P08684 1/20 0.42
▸ CDK1 P06493 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PI4KA P42356 2/20 0.40
▸ PI4K2B Q8TCG2 2/20 0.40
▸ PI4K2A Q9BTU6 2/20 0.40
▸ PI4KB Q9UBF8 2/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ XDH P47989 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HTT P42858 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9621704 0.80 MAP3K7 (0.35) DRD3
SCHEMBL38657082 0.79 PDPK1 (0.57) PDPK1CDC7DBF4CDK1CDK2
SCHEMBL2938609 0.74 PDPK1 (0.62) PDPK1CDC7DBF4CDK1CDK2
SCHEMBL29569289 0.74 TSHR (0.51) CDC7DBF4LMNATSHRTP53
SCHEMBL9621611 0.74 TSHR (0.51) CDC7DBF4LMNATSHRTP53
SCHEMBL8187698 0.73 PDPK1 (0.53) PDPK1CDC7DBF4CYP3A4CDK1
SCHEMBL4397297 0.70 PDPK1 (0.55) PDPK1CDC7DBF4CDK1CDK2
SCHEMBL2938157 0.69 CDC7 (0.59) PDPK1CDC7DBF4CDK2LMNA
SCHEMBL4496030 0.67 CDC7 (0.60) PDPK1CDC7DBF4CYP3A4CDK1
SCHEMBL17165605 0.67 MKNK1 (0.52) PDPK1CDC7DBF4LMNATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186454-B1 6-PURINYL N-(2-CHLOROETHYL) CARBAMATE AND THIOCARBAMATE, A PROCESS FOR THEIR PREPARATION AND USE THEREOF SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1992-04-08 — — EP claimed
US-4720497-A 6-purinyl N-/2-chloroethyl/carbamate and thiocarbamate and process for the preparation thereof SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1988-01-19 — — US claimed
EP-0186454-A2 6-Purinyl N-(2-chloroethyl) carbamate and thiocarbamate, a process for their preparation and use thereof SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1986-07-02 — — EP claimed
JP-61186382-A — — None — — JP disclosed
EP-0186454-B1 6-PURINYL N-(2-CHLOROETHYL) CARBAMATE AND THIOCARBAMATE, A PROCESS FOR THEIR PREPARATION AND USE THEREOF SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1992-04-08 — — EP disclosed
EP-0186454-B1 6-PURINYL N-(2-CHLOROETHYL) CARBAMATE AND THIOCARBAMATE, A PROCESS FOR THEIR PREPARATION AND USE THEREOF SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1992-04-08 — — EP disclosed
US-4720497-A 6-purinyl N-/2-chloroethyl/carbamate and thiocarbamate and process for the preparation thereof SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1988-01-19 — — US disclosed
US-4720497-A 6-purinyl N-/2-chloroethyl/carbamate and thiocarbamate and process for the preparation thereof SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1988-01-19 — — US disclosed
US-4720497-A 6-purinyl N-/2-chloroethyl/carbamate and thiocarbamate and process for the preparation thereof SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1988-01-19 — — US disclosed
JP-S61186382-A 6-PURINYL N-(2-CHLOROETHYL)CARBAMATE AND THIOCARBAMATE AND MANUFACTURE SPOFA VEREINIGTE PHARMA WERKE 1986-08-20 — — JP disclosed
EP-0186454-A2 6-Purinyl N-(2-chloroethyl) carbamate and thiocarbamate, a process for their preparation and use thereof SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1986-07-02 — — EP disclosed
EP-0186454-A2 6-Purinyl N-(2-chloroethyl) carbamate and thiocarbamate, a process for their preparation and use thereof SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1986-07-02 — — EP disclosed
EP-0186454-A2 6-Purinyl N-(2-chloroethyl) carbamate and thiocarbamate, a process for their preparation and use thereof SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1986-07-02 — — EP disclosed
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