SCHEMBL6239285

SCHEMBL6239285

Brc1cnc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)nc1NCc1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 6/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HTR6 P50406 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ BRCA1 P38398 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTK2 Q05397 1/20 0.37
▸ PTK2B Q14289 1/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CCNB1 P14635 1/20 0.37

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
SCHEMBL6240449 0.90 CDK1 (0.43) CDK1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6212509 0.90 CDK1 (0.50) CDK1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6237252 0.90 CDK1 (0.45) CDK1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6211231 0.90 CDK1 (0.43) CDK1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6212141 0.90 KDM4E (0.43) CDK1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6236688 0.89 PTK2 (0.42) CDK1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL5213071 0.88 PTK2 (0.41) CDK1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6243295 0.88 KDM4E (0.45) CDK1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6242870 0.86 PTK2 (0.52) CDK1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6238909 0.86 CDK1 (0.43) CDK1KDM4EALDH1A1MAPTHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578732-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2005-09-28 — — EP claimed
WO-2004056786-A2 PYRIMIDINE DERIVATES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-08 — — WO claimed
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