SCHEMBL27657356

SCHEMBL27657356

CCc1cc(-c2cccc3[nH]nc(N)c23)ccc1N(C(N)=O)c1cc(CN)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 17/20 0.61
▸ FLT3 P36888 9/20 0.49
▸ FLT1 P17948 7/20 0.49
▸ FLT4 P35916 6/20 0.49
▸ NTRK1 P04629 6/20 0.49
▸ PRKACA P17612 5/20 0.49
▸ ROCK1 Q13464 5/20 0.49
▸ PLK4 O00444 4/20 0.49
▸ AURKA O14965 4/20 0.49
▸ ROCK2 O75116 4/20 0.49
▸ CDK1 P06493 4/20 0.49
▸ RPS6KB1 P23443 4/20 0.49
▸ AKT1 P31749 4/20 0.49
▸ CSNK1D P48730 4/20 0.49
▸ STK3 Q13188 4/20 0.49
▸ NTRK2 Q16620 4/20 0.49
▸ MARK2 Q7KZI7 4/20 0.49
▸ AURKB Q96GD4 4/20 0.49
▸ FGFR1 P11362 4/20 0.49
▸ CDK5 Q00535 4/20 0.49

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
SCHEMBL27636400 0.91 KDR (0.62) KDRFLT3FLT1FLT4NTRK1
SCHEMBL27657313 0.90 KDR (0.60) KDRFLT3FLT1FLT4NTRK1
SCHEMBL27657304 0.87 KDR (0.57) KDRFLT3FLT1FLT4NTRK1
SCHEMBL27636556 0.87 KDR (0.77) KDRFLT3FLT1FLT4NTRK1
SCHEMBL27636378 0.86 KDR (0.56) KDRFLT3FLT1FLT4NTRK1
Acetic Acid SCHEMBL27785089 0.85 KDR (0.75) KDRFLT3FLT1FLT4NTRK1
SCHEMBL27636471 0.84 KDR (0.60) KDRFLT3FLT1FLT4NTRK1
Toluene SCHEMBL27811422 0.83 KDR (0.77) KDRFLT3FLT1FLT4NTRK1
SCHEMBL27636412 0.81 KDR (0.54) KDRFLT3FLT1FLT4NTRK1
SCHEMBL28794029 0.81 KDR (0.63) KDRFLT3FLT1FLT4NTRK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1826324-B indazole, Benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LABORATORIES (US) 2011-12-07 — — CN claimed
CN-1826324-A Indazole, benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LAB (US) 2006-08-30 — — CN claimed
CN-102417487-A Indazole, benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LAB 2012-04-18 — — CN disclosed
CN-1826324-B indazole, Benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LABORATORIES (US) 2011-12-07 — — CN disclosed
CN-101827584-A Solid dispersion product of N-aryl ureido drugs ABBOTT GMBH & CO KG 2010-09-08 — — CN disclosed
CN-1826324-A Indazole, benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LAB (US) 2006-08-30 — — CN disclosed
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