SCHEMBL5435640

SCHEMBL5435640

c1cc(-c2ncc[nH]2)cc(-c2n[nH]c3ccccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.56
MAPK1 P28482 2/20 0.55
MAP2K4 P45985 1/20 0.55
MAPKAPK3 Q16644 1/20 0.55
MAPK6 Q16659 1/20 0.55
IDO1 P14902 3/20 0.54
TTK P33981 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
ALPL P05186 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
MAPK10 P53779 1/20 0.54
MTOR P42345 1/20 0.51
ADK P55263 1/20 0.51
NISCH Q9Y2I1 1/20 0.51
LRRK2 Q5S007 4/20 0.50
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
MAP2K7 O14733 1/20 0.44

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
SCHEMBL27864822 0.85 FGFR1 (0.57) AURKAMAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL5383144 0.80 MAP3K8 (0.42) MAPK1MAP2K4MAPKAPK3MAPK6TTK
SCHEMBL6843665 0.80 MAP2K4 (0.62) MAPK1MAP2K4MAPKAPK3MAPK6TTK
SCHEMBL16777437 0.79 NISCH (0.72) KDM4EALDH1A1GAAMTORADK
SCHEMBL17801025 0.78 LRRK2 (0.50) IDO1TTKLRRK2CLK4ITK
SCHEMBL18977088 0.78 TTK (0.75) AURKAMAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL19597646 0.77 TTK (0.72) AURKAMAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL3644191 0.76 NISCH (0.74) KDM4EALDH1A1MTORADKNISCH
SCHEMBL17801028 0.75 CSNK1D (0.56) MAPK1MAP2K4MAPKAPK3MAPK6TTK
SCHEMBL5636603 0.75 CHEK1 (0.60) FGFR1CDK2ITKCDK4CCNA2

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
US-7211594-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-01 US disclosed