SCHEMBL904057

SCHEMBL904057

CS(=O)(=O)N1CC=C(c2ccc(OC[C@@H]3C4CN(c5ncc(Cl)cn5)C[C@H]43)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.46
CCNT1 O60563 12/20 0.39
CDK9 P50750 12/20 0.39
ENPP2 Q13822 1/20 0.37
KIT P10721 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL903923 0.91 GPR119 (0.51) GPR119CCNT1CDK9
SCHEMBL904048 0.90 GPR119 (0.46) GPR119CCNT1CDK9ENPP2SYK
SCHEMBL904059 0.81 GPR119 (0.42) GPR119CCNT1CDK9ENPP2
SCHEMBL10067601 0.81 GPR119 (0.42) GPR119CCNT1CDK9ENPP2
SCHEMBL904166 0.76 GPR119 (0.45) GPR119CCNT1CDK9ENPP2
SCHEMBL904120 0.75 GPR119 (0.48) GPR119
SCHEMBL904056 0.72 GPR119 (0.40) GPR119CCNT1CDK9ENPP2
SCHEMBL903993 0.72 GPR119 (0.40) GPR119CCNT1CDK9ENPP2
SCHEMBL903925 0.71 GPR119 (0.53) GPR119
SCHEMBL980281 0.71 TDP1 (0.48) CCNT1CDK9SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 WO disclosed