SCHEMBL6630007

SCHEMBL6630007

O=C(Nc1cccc(Oc2ccc(-c3ncc[nH]3)cc2)n1)Nc1csc(-c2ccncc2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 7/20 0.53
CDK5R1 Q15078 7/20 0.53
ROCK1 Q13464 1/20 0.42
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
DYRK1A Q13627 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GRM5 P41594 6/20 0.36
CHEK1 O14757 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34

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
SCHEMBL5347574 0.84 CDK5 (0.65) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5342987 0.84 CDK5 (0.57) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5342153 0.84 CDK5 (0.57) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5341602 0.81 CDK5 (0.54) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5342474 0.80 CDK5 (0.53) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5345974 0.79 CDK5 (0.54) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5339059 0.78 CDK5 (0.51) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5339544 0.78 CDK5 (0.51) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL14558890 0.78 CDK5 (0.53) CDK5CDK5R1ROCK1CCNA2CDK2
SCHEMBL5344451 0.75 CDK5 (0.54) CDK5CDK5R1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO disclosed