SCHEMBL7173993

SCHEMBL7173993

Cc1[nH]c(-c2ccccc2)cc1C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 1.00
CDC7 O00311 8/20 0.71
CCNA2 P20248 1/20 0.57
CDK2 P24941 1/20 0.57
CCNA1 P78396 1/20 0.57
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL16042092 0.91 BRD4 (0.82) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL2215320 0.86 BRD4 (0.75) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL16045418 0.85 BRD4 (0.73) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL16043468 0.84 BRD4 (0.72) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL16043465 0.84 BRD4 (0.72) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL16042278 0.84 BRD4 (0.72) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL16042670 0.84 BRD4 (0.71) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL16042251 0.83 BRD4 (0.71) BRD4CDC7
SCHEMBL16042054 0.83 BRD4 (0.70) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL1450398 0.83 BRD4 (0.71) BRD4CDC7CCNA2CDK2CCNA1

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-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 WO claimed