SCHEMBL9621609

SCHEMBL9621609

O=C(NCCCl)Sc1ncnc2[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.36
▸ CTNNB1 P35222 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CDC7 O00311 1/20 0.30
▸ DBF4 Q9UBU7 1/20 0.30
▸ 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
SCHEMBL29569289 0.80 TSHR (0.51) CTNNB1TSHRCDC7DBF4
SCHEMBL9621611 0.80 TSHR (0.51) CTNNB1TSHRCDC7DBF4
SCHEMBL9621704 0.73 MAP3K7 (0.35) ADORA3ADORA2B
SCHEMBL735449 0.71 NOTUM (0.60) NOTUMTSHR
SCHEMBL2888984 0.69 G6PD (0.48) NOTUMTSHRCDC7DBF4
SCHEMBL13401493 0.68 SLC6A5 (0.47) NOTUMTSHR
SCHEMBL14347081 0.66 SLC6A5 (0.54) NOTUMCTNNB1TSHRCDC7DBF4
SCHEMBL9177267 0.66 NOTUM (0.41) NOTUMCTNNB1TSHRCDC7DBF4
SCHEMBL240979 0.66 TP53 (0.52) NOTUMTSHRCDC7DBF4
SCHEMBL1884552 0.66 G6PD (0.37) NOTUM

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 3 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
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
Send feedback