SCHEMBL3862278

SCHEMBL3862278

CS(=O)(=O)N(c1ccc(Nc2ncc3cnn(-c4ccc(O)cc4)c3n2)cc1)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 15/20 0.48
CDK1 P06493 12/20 0.48
CCNB1 P14635 12/20 0.48
EIF2AK4 Q9P2K8 1/20 0.46
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCND2 P30279 1/20 0.44
CCND3 P30281 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
MAPK14 Q16539 1/20 0.39
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
MERTK Q12866 1/20 0.39

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
SCHEMBL1353780 0.89 EIF2AK4 (0.60) AURKACDK1CCNB1EIF2AK4CDK4
SCHEMBL1355910 0.82 FGFR4 (0.50) AURKACDK1CCNB1EIF2AK4CDK4
SCHEMBL1353825 0.82 AURKA (0.46) AURKACDK1CCNB1EIF2AK4CDK4
SCHEMBL1355521 0.82 AURKA (0.46) AURKACDK1CCNB1EIF2AK4CYP3A4
SCHEMBL1355254 0.82 AURKA (0.44) AURKACDK1CCNB1EIF2AK4CDK4
SCHEMBL1356204 0.82 PLK2 (0.45) AURKACDK1CCNB1EIF2AK4FLT3
SCHEMBL1356007 0.81 EIF2AK4 (0.67) AURKAEIF2AK4CDK4CCND1CCND2
SCHEMBL3591861 0.81 AURKA (0.54) AURKACDK1CCNB1CDK4CCND1
SCHEMBL1356818 0.81 EIF2AK4 (0.58) AURKACDK1CCNB1EIF2AK4CDK4
SCHEMBL1353936 0.80 AURKA (0.49) AURKAEIF2AK4CDK4CCND1CCND2

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-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed