SCHEMBL4238115

SCHEMBL4238115

CCOc1cc(CN2CCC(Nc3nc(OC)nc(OC)n3)CC2)cc(OCC)c1-c1ccc(F)cc1.COc1nc(NC2CCNCC2)nc(OC)n1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.54
KCNH2 Q12809 6/20 0.53
SSTR3 P32745 1/20 0.53

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
SCHEMBL3769507 0.95 SSTR5 (0.58) SSTR5KCNH2SSTR3
SCHEMBL4230321 0.90 SSTR5 (0.47) SSTR5KCNH2SSTR3
SCHEMBL3777300 0.90 SSTR5 (0.57) SSTR5KCNH2SSTR3
SCHEMBL4234199 0.89 SSTR5 (0.54) SSTR5KCNH2
SCHEMBL3781606 0.86 SSTR5 (0.56) SSTR5KCNH2SSTR3
SCHEMBL3787433 0.86 SSTR5 (0.56) SSTR5KCNH2SSTR3
SCHEMBL4235821 0.85 SSTR5 (0.44) SSTR5KCNH2
SCHEMBL4235419 0.85 SSTR5 (0.54) SSTR5KCNH2
SCHEMBL3774425 0.85 SSTR5 (0.51) SSTR5KCNH2SSTR3
SCHEMBL3774871 0.85 SSTR5 (0.56) SSTR5KCNH2SSTR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
CN-101405284-A Pyrimidine, quinazoline, pteridine and derivatives HOFFMANN LA ROCHE (CH) 2009-04-08 CN disclosed