SCHEMBL9621704

SCHEMBL9621704

O=C(NCCCl)Oc1ncnc2[nH]cnc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 1/20 0.35
▸ TAB1 Q15750 1/20 0.35
▸ FAAH O00519 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2B P29275 1/20 0.30

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
SCHEMBL9621465 0.80 PDPK1 (0.47) DRD3
SCHEMBL29775862 0.76 PARP1 (0.36) MAP3K7TAB1
SCHEMBL2314712 0.76 PARP1 (0.33) MAP3K7TAB1
SCHEMBL2938606 0.75 MAP3K7 (0.37) MAP3K7TAB1
SCHEMBL9621609 0.73 NOTUM (0.36) ADORA3ADORA2B
SCHEMBL20322822 0.71 NOTUM (0.39) MAP3K7TAB1
SCHEMBL2938155 0.69 BRD4 (0.40) —
SCHEMBL14347083 0.67 PDPK1 (0.37) MAP3K7TAB1
SCHEMBL2940695 0.67 PDPK1 (0.36) DRD3
SCHEMBL30688741 0.67 L3MBTL1 (0.45) MAP3K7TAB1

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 5 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
JP-61186382-A — — None — — JP 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
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