SCHEMBL903988

SCHEMBL903988

C[C@@]12CN(c3ncc(Cl)cn3)CC1[C@H]2COc1c(F)cc(C2=CCN(S(C)(=O)=O)CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.42
CCNT1 O60563 10/20 0.36
CDK9 P50750 10/20 0.36

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
SCHEMBL904166 0.75 GPR119 (0.45) GPR119CCNT1CDK9
SCHEMBL903996 0.74 GPR119 (0.40) GPR119CCNT1CDK9
SCHEMBL10067568 0.71 GPR119 (0.38) GPR119
SCHEMBL904057 0.70 GPR119 (0.46) GPR119CCNT1CDK9
SCHEMBL10067595 0.70 CCNT1 (0.42) CCNT1CDK9
SCHEMBL903909 0.69 GPR119 (0.33) GPR119
SCHEMBL10067589 0.67 CCNT1 (0.36) GPR119CCNT1CDK9
SCHEMBL904052 0.67 CCNT1 (0.36) GPR119CCNT1CDK9
SCHEMBL903923 0.65 GPR119 (0.51) GPR119CCNT1CDK9
SCHEMBL12184349 0.65 GPR119 (0.85) GPR119

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