SCHEMBL4091966

SCHEMBL4091966

COc1ccccc1C(=O)Nc1n[nH]c2cc(C(=O)O)oc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.54
CDC7 O00311 1/20 0.49
MAP4K4 O95819 1/20 0.49
PIM1 P11309 1/20 0.49
CDK2 P24941 1/20 0.49
GSK3B P49841 1/20 0.49
HIPK2 Q9H2X6 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
NPC1 O15118 7/20 0.47
RAB9A P51151 6/20 0.46
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 2/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GLA P06280 1/20 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
SCHEMBL4093020 0.86 CDC7 (0.44) GPR35CDC7MAP4K4PIM1CDK2
SCHEMBL2904998 0.83 GPR35 (0.47) GPR35NPC1RAB9AHPGDRXFP1
SCHEMBL651126 0.83 NPC1 (0.41) ADORA3ADORA2ANPC1RAB9AMAPT
SCHEMBL4088612 0.83 NPC1 (0.48) GPR35NPC1RAB9AMAPTTP53
SCHEMBL13211583 0.81 KDM4E (0.37) GPR35CDC7MAP4K4PIM1CDK2
SCHEMBL2913699 0.81 GPR35 (0.51) GPR35NPC1RAB9AMAPTRXFP1
SCHEMBL4083540 0.81 FGFR1 (0.50) GPR35CDC7MAP4K4PIM1CDK2
SCHEMBL2912045 0.81 CYP1A2 (0.42) GPR35TP53HPGDALDH1A1
SCHEMBL4088594 0.80 GPR35 (0.55) GPR35CDK2NPC1RAB9AMEN1
SCHEMBL651209 0.80 CYP1A2 (0.46) GPR35NPC1RAB9AMAPTHPGD

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