SCHEMBL27636412

SCHEMBL27636412

NCc1cccc(N(C(N)=O)c2ccc(-c3cccc4[nH]nc(N)c34)cc2CN)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.54
▸ FLT3 P36888 8/20 0.45
▸ KIT P10721 7/20 0.45
▸ ABL1 P00519 6/20 0.44
▸ BCR P11274 5/20 0.44
▸ CSF1R P07333 4/20 0.42
▸ PRKACA P17612 4/20 0.42
▸ ROCK1 Q13464 4/20 0.42
▸ PLK4 O00444 3/20 0.42
▸ AURKA O14965 3/20 0.42
▸ JAK2 O60674 3/20 0.42
▸ NTRK1 P04629 3/20 0.42
▸ CDK1 P06493 3/20 0.42
▸ FLT1 P17948 3/20 0.42
▸ RPS6KB1 P23443 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ MARK3 P27448 3/20 0.42
▸ RPS6KA3 P51812 3/20 0.42
▸ CDK5 Q00535 3/20 0.42
▸ MARK2 Q7KZI7 3/20 0.42

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
SCHEMBL27636406 0.90 KDR (0.60) KDRFLT3KITABL1BCR
SCHEMBL27636419 0.89 KDR (0.52) KDRFLT3KITABL1BCR
SCHEMBL27636462 0.88 KDR (0.60) KDRFLT3KITABL1BCR
SCHEMBL28757592 0.82 KDR (0.61) KDRFLT3KITABL1BCR
SCHEMBL27636385 0.82 KDR (0.61) KDRFLT3KITABL1BCR
SCHEMBL27657356 0.81 KDR (0.61) KDRFLT3KITABL1BCR
SCHEMBL27636384 0.80 KDR (0.55) KDRFLT3KITABL1BCR
SCHEMBL27636556 0.80 KDR (0.77) KDRFLT3KITABL1BCR
SCHEMBL27636383 0.79 KDR (0.53) KDRFLT3KITABL1BCR
SCHEMBL27636373 0.79 KDR (0.62) KDRFLT3KITABL1BCR

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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