SCHEMBL4091914

SCHEMBL4091914

COc1cccc(C(=O)Nc2n[nH]c3cc(C(=O)O)oc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
CDK2 P24941 2/20 0.50
CDC7 O00311 1/20 0.50
DAPK3 O43293 1/20 0.50
JAK2 O60674 1/20 0.50
ROCK2 O75116 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
PRKACA P17612 1/20 0.50
FLT3 P36888 1/20 0.50
CSNK1A1 P48729 1/20 0.50
CLK2 P49760 1/20 0.50
GSK3A P49840 1/20 0.50
CDK7 P50613 1/20 0.50
CDK9 P50750 1/20 0.50
PRKX P51817 1/20 0.50
CDK5 Q00535 1/20 0.50
MAP4K2 Q12851 1/20 0.50

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
SCHEMBL4088594 0.88 GPR35 (0.55) NPC1RAB9ACDK2CDK7HDAC6
SCHEMBL4088617 0.86 CDK7 (0.46) SMN1; SMN2NPC1RAB9ACDK2CDC7
SCHEMBL4083540 0.85 FGFR1 (0.50) NPC1RAB9ACDK2CDC7DAPK3
SCHEMBL4088652 0.84 JAK2 (0.49) SMN1; SMN2NPC1RAB9ACDK2CDC7
SCHEMBL4088257 0.84 AURKA (0.47) SMN1; SMN2NPC1RAB9ACDK2CDC7
SCHEMBL4081022 0.83 FLT3 (0.50) SMN1; SMN2NPC1RAB9AFLT3HDAC6
SCHEMBL6376887 0.80 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACDK2CDC7
SCHEMBL4091966 0.80 GPR35 (0.54) SMN1; SMN2NPC1RAB9ACDK2CDC7
SCHEMBL1179465 0.79 CDK7 (0.62) CDK2CDC7DAPK3JAK2ROCK2
SCHEMBL2913699 0.78 GPR35 (0.51) NPC1RAB9ACDK7MEN1KMT2A

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