SCHEMBL17878737

SCHEMBL17878737

C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N[C@H](CI)c2ccccc2)C3(C)C)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 7/20 0.66
CCNH P51946 7/20 0.66
MNAT1 P51948 7/20 0.66
CDK2 P24941 4/20 0.66
CCNT1 O60563 1/20 0.66
CCNA2 P20248 1/20 0.66
CDK9 P50750 1/20 0.66
CCNA1 P78396 1/20 0.66
MELK Q14680 2/20 0.60
HIPK4 Q8NE63 1/20 0.60
PAK4 O96013 13/20 0.55

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
SCHEMBL31220815 0.93 CDK7 (0.78) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL20741170 0.93 CDK7 (0.78) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL17877936 0.93 CDK7 (0.78) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL20741190 0.80 CDK7 (1.00) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL17878720 0.80 CDK7 (1.00) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL20741166 0.79 CDK7 (0.85) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL17878659 0.79 CDK7 (0.85) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL20741120 0.79 CDK7 (0.78) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL17878752 0.79 CDK7 (0.62) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL20741169 0.79 CDK7 (0.62) CDK7CCNHMNAT1CDK2CCNT1

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-2016105528-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-06-30 WO disclosed