SCHEMBL15533699

SCHEMBL15533699

Oc1ccc(-c2ccnc(Nc3ccncc3C(F)(F)F)n2)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
RET P07949 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
BRAF P15056 1/20 0.43
MAPK14 Q16539 1/20 0.43
ABL1 P00519 3/20 0.41
CLK1 P49759 2/20 0.41
CLK2 P49760 2/20 0.41
DYRK1A Q13627 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL15533101 0.86 CCNB2 (0.55) CCNB2CDK1RETCCNB1CCNB3
SCHEMBL15533704 0.81 ABL1 (0.47) ABL1DYRK1ACLK4CDK2KDM4E
SCHEMBL15533263 0.81 CLK1 (0.64) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL15534142 0.80 ABL1 (0.46) ABL1CLK4BCR
SCHEMBL15534289 0.79 SYK (0.59) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL15533252 0.78 DKK1 (0.47) ABL1CLK1CLK2DYRK1ACLK4
SCHEMBL15534056 0.78 MEN1 (0.46) CCNB2CDK1RETCCNB1CCNB3
SCHEMBL15533886 0.76 CLK1 (0.67) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL15534348 0.76 MEN1 (0.46) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL15534057 0.75 CLK1 (0.47) CLK1CLK2DYRK1ACLK4DYRK1B

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
WO-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO claimed
WO-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO disclosed