SCHEMBL22011512

SCHEMBL22011512

COc1cc(Oc2ccc(C3=CC4CN(C(=O)OC(C)(C)C)CC4C3)cc2)ccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.43
CDK9 P50750 4/20 0.43
AR P10275 3/20 0.43
BTK Q06187 3/20 0.38
RET P07949 7/20 0.38
GPR119 Q8TDV5 2/20 0.37
PDE4B Q07343 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
SCHEMBL22010768 1.00 CCNT1 (0.43) CCNT1CDK9ARBTKRET
SCHEMBL22010769 0.85 GPR119 (0.48) CCNT1CDK9ARBTKGPR119
SCHEMBL22010771 0.85 GPR119 (0.48) CCNT1CDK9ARBTKGPR119
SCHEMBL22010486 0.84 BTK (0.42) CCNT1CDK9BTKGPR119
SCHEMBL22010505 0.84 BTK (0.42) CCNT1CDK9BTKGPR119
SCHEMBL22010912 0.83 BTK (0.44) CCNT1CDK9BTKGPR119
SCHEMBL22011041 0.83 BTK (0.44) CCNT1CDK9BTKGPR119
SCHEMBL30161685 0.81 BTK (0.52) CCNT1CDK9BTKGPR119
SCHEMBL22010906 0.81 BTK (0.52) CCNT1CDK9BTKGPR119
SCHEMBL22010468 0.79 BTK (0.47) CCNT1CDK9BTKGPR119

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-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed