SCHEMBL8089927

SCHEMBL8089927

Cc1cnc(Nc2cccc(N)c2)nc1-c1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.54
ABL1 P00519 3/20 0.50
MAP3K5 Q99683 1/20 0.49
CDK5 Q00535 1/20 0.49
BCR P11274 2/20 0.49
SRC P12931 2/20 0.49
EGFR P00533 1/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
BLK P51451 2/20 0.48
CDK1 P06493 2/20 0.46
KDR P35968 1/20 0.46
CDK2 P24941 2/20 0.46
CDK4 P11802 1/20 0.46
AXL P30530 1/20 0.45
JAK2 O60674 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
RAPGEF4 Q8WZA2 1/20 0.44

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
SCHEMBL4380161 0.86 JAK2 (0.61) SYKABL1MAP3K5BLKJAK2
SCHEMBL31339966 0.79 CTSC (0.44) SYKCDK1KDRAXLJAK2
SCHEMBL12519548 0.78 SYK (0.67) SYKABL1CDK5SRCEGFR
SCHEMBL13166126 0.78 SYK (0.67) SYKABL1CDK5SRCEGFR
SCHEMBL12801657 0.77 SYK (0.51) SYKCDK5EGFRKDRCDK4
SCHEMBL13606335 0.77 AURKA (0.65) SYKABL1CDK5EGFRBLK
SCHEMBL13166092 0.77 AURKA (0.65) SYKABL1CDK5EGFRBLK
SCHEMBL4561983 0.77 JAK2 (0.58) ABL1KDRAXLJAK2
SCHEMBL31327413 0.77 CDK1 (0.57) CDK5SRCEGFRCDK1CDK2
SCHEMBL31327412 0.77 CDK1 (0.57) CDK5SRCEGFRCDK1CDK2

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO disclosed