SCHEMBL17704152

SCHEMBL17704152

CC(C)(C)OC(=O)N1CC=C(c2c3c4c(ccnc4n2COCC[Si](C)(C)C)-c2cc(F)ccc2OC3)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 14/20 0.48
CCNT1 O60563 7/20 0.45
EED O75530 1/20 0.39
RBBP4 Q09028 1/20 0.39
SUZ12 Q15022 1/20 0.39
EZH2 Q15910 1/20 0.39
GRM5 P41594 3/20 0.38
GRM1 Q13255 3/20 0.38
KIT P10721 1/20 0.36
WNT3A P56704 1/20 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
SCHEMBL16052395 0.82 CDK9 (0.55) CDK9CCNT1
SCHEMBL17535146 0.81 CDK9 (0.47) CDK9CCNT1
SCHEMBL16967654 0.75 CDK9 (0.39) CDK9
SCHEMBL16039104 0.75 CDK9 (0.52) CDK9CCNT1
SCHEMBL17534997 0.74 DGAT2 (0.37) CDK9EEDRBBP4SUZ12EZH2
SCHEMBL17837729 0.72 GRM1 (0.44) CDK9CCNT1EEDRBBP4SUZ12
SCHEMBL17837904 0.71 GRM1 (0.42) CDK9EEDRBBP4SUZ12EZH2
SCHEMBL17837491 0.70 GRM1 (0.41) EEDRBBP4SUZ12EZH2GRM5
SCHEMBL12874666 0.70 GRM1 (0.49) EEDRBBP4SUZ12EZH2GRM5
SCHEMBL16967466 0.69 GRM5 (0.43) CDK9CCNT1EEDRBBP4SUZ12

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
US-9328112-B2 Tetracyclic CDK9 kinase inhibitors ABBVIE INC. (US) 2016-05-03 US disclosed