SCHEMBL2470080

SCHEMBL2470080

Nc1ncc(-c2n[nH]c3ccc(F)cc23)c(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.47
MAP3K14 Q99558 1/20 0.46
HTR2A P28223 1/20 0.43
ADORA1 P30542 1/20 0.39
MAP2K4 P45985 1/20 0.38
WNT1 P04628 1/20 0.38
DHFR P00374 4/20 0.38
AURKA O14965 1/20 0.37
CHUK O15111 1/20 0.37
PDPK1 O15530 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
KDR P35968 1/20 0.37
TGFBR1 P36897 1/20 0.37
SYK P43405 1/20 0.37
JAK3 P52333 1/20 0.37
ROCK1 Q13464 1/20 0.37
AURKB Q96GD4 1/20 0.37
MAP3K5 Q99683 1/20 0.37
PIKFYVE Q9Y2I7 2/20 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
SCHEMBL14633541 0.76 ITK (0.36) ITKMAP3K14HTR2AWNT1
SCHEMBL2496483 0.75 SYK (0.51) KDRSYKMAPKAPK2PIM3
SCHEMBL2494409 0.74 PLK2 (0.44) ITKMAP3K14WNT1KDRSYK
SCHEMBL2467117 0.74 KDR (0.51) DHFRAURKAKDRSYKAURKB
SCHEMBL14633733 0.74 PTGS2 (0.49) ITKMAP2K4JAK3ROCK1
SCHEMBL14634292 0.74 RIPK2 (0.44) ITKMAP2K4CDK2
SCHEMBL785649 0.74 JAK2 (0.60) ITKHTR2AMAP2K4PDPK1RPS6KB1
SCHEMBL2471660 0.72 PTK6 (0.50) MAP2K4TGFBR1
SCHEMBL14633488 0.72 GRM4 (0.49) ITKMAP2K4ROCK1
SCHEMBL14634034 0.72 EPHB4 (0.49) MAP2K4AURKACDK2KDRSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed