SCHEMBL22509271

SCHEMBL22509271

COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Nc2ccccc2C(=N)F)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 12/20 0.48
FGFR1 P11362 2/20 0.46
FGFR3 P22607 2/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
CDC7 O00311 3/20 0.45
DAPK3 O43293 3/20 0.45
PIM1 P11309 3/20 0.45
CDK2 P24941 3/20 0.45
FLT3 P36888 3/20 0.45
GSK3B P49841 3/20 0.45
CDK5 Q00535 3/20 0.45
DYRK1A Q13627 3/20 0.45
MELK Q14680 3/20 0.45
HIPK2 Q9H2X6 3/20 0.45
PLK1 P53350 2/20 0.45
PRKD3 O94806 2/20 0.45
CSNK1A1 P48729 2/20 0.45
JAK3 P52333 2/20 0.45
MAP4K2 Q12851 2/20 0.45

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
SCHEMBL24240366 0.83 EGFR (0.47) PTK2JAK3INSRKDRALK
SCHEMBL19336964 0.81 CCNT1 (0.43) PTK2FGFR1FGFR3FGFR2FGFR4
SCHEMBL19337026 0.79 CCNT1 (0.41) PTK2FGFR1FGFR3CDC7DAPK3
SCHEMBL17059353 0.78 PIN1 (0.40) PTK2FGFR1FGFR3FGFR2FGFR4
SCHEMBL29597402 0.77 KMT2A (0.47) MAPK1ABCG2CDK9CCNT1NPC1
SCHEMBL26324473 0.77 LRRK2 (0.39) PTK2ABCG2KMT2A
SCHEMBL18607073 0.76 MAPK10 (0.48) PTK2FGFR1FGFR3CDC7DAPK3
SCHEMBL22994835 0.75 LRRK2 (0.43) PTK2FGFR1FGFR3CDC7DAPK3
SCHEMBL17059224 0.75 IGF1R (0.43) FGFR1FGFR3FGFR2FGFR4CDK2
SCHEMBL18011894 0.75 MAPK8 (0.52) PTK2FGFR1FGFR3CDC7DAPK3

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-2020200158-A1 N-HETEROAROMATIC AMIDE DERIVATIVES FOR TREATMENT OF CANCER 深圳福沃药业有限公司 2020-10-08 WO disclosed