SCHEMBL4088568

SCHEMBL4088568

O=C(Nc1n[nH]c2cc(C(=O)NC3(c4ccccc4)CCCC3)oc12)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.40
ROCK2 O75116 2/20 0.40
DYRK1A Q13627 2/20 0.40
CDC7 O00311 1/20 0.40
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
FLT3 P36888 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40
CLK2 P49760 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
PRKX P51817 1/20 0.40
JAK3 P52333 1/20 0.40
CDK5 Q00535 1/20 0.40
MAP4K2 Q12851 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
SCHEMBL4088806 0.96 HSD17B13 (0.42) CDK2ROCK2DYRK1ACDC7DAPK3
SCHEMBL4092927 0.85 AURKA (0.53) FLT3
SCHEMBL4083945 0.84 MAPK1 (0.45) CDK2DYRK1ASMN1; SMN2SCN9ACCNA2
SCHEMBL4092150 0.84 SMN1; SMN2 (0.40) CDK2DYRK1ASMN1; SMN2TP53SCN9A
SCHEMBL4078233 0.82 AURKA (0.54) CDC7PAK4PRKACAFLT3JAK3
SCHEMBL4086452 0.80 MAPK1 (0.46) CDK2DYRK1ASMN1; SMN2TP53TTK
SCHEMBL3879252 0.80 GPR35 (0.45) CDK2ROCK2DYRK1ACDC7DAPK3
SCHEMBL653285 0.80 DYRK1A (0.41) DYRK1ASMN1; SMN2TTKSCN9ATACR3
SCHEMBL4088328 0.80 MAPK1 (0.41) CDK2DYRK1ASMN1; SMN2TP53TTK
SCHEMBL741273 0.78 HSD17B13 (0.40) CDK2ROCK2DYRK1ACDC7DAPK3

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
EP-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed