SCHEMBL27657358

SCHEMBL27657358

NCc1ccc(N(C(N)=O)c2ccc(-c3cccc4[nH]nc(N)c34)cc2)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.58
LCK P06239 3/20 0.51
CSF1R P07333 3/20 0.51
FGFR1 P11362 3/20 0.51
PRKACA P17612 3/20 0.51
ROCK1 Q13464 3/20 0.51
PLK4 O00444 2/20 0.51
AURKA O14965 2/20 0.51
JAK2 O60674 2/20 0.51
CDK1 P06493 2/20 0.51
LYN P07948 2/20 0.51
SRC P12931 2/20 0.51
RPS6KB1 P23443 2/20 0.51
CDK2 P24941 2/20 0.51
MARK3 P27448 2/20 0.51
BLK P51451 2/20 0.51
MARK2 Q7KZI7 2/20 0.51
AURKB Q96GD4 2/20 0.51
SGK2 Q9HBY8 2/20 0.51
AKT1 P31749 1/20 0.51

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
SCHEMBL27636372 0.89 KDR (0.65) KDRLCKCSF1RFGFR1PRKACA
SCHEMBL27636364 0.86 KDR (0.68) KDRLCKCSF1RFGFR1PRKACA
SCHEMBL27636462 0.85 KDR (0.60) KDRLCKCSF1RFGFR1PRKACA
SCHEMBL4740070 0.85 KDR (0.62) KDRLCKCSF1RFGFR1PRKACA
SCHEMBL27636418 0.83 KDR (0.66) KDRLCKCSF1RFGFR1PRKACA
SCHEMBL27657352 0.82 KDR (0.66) KDRLCKCSF1RFGFR1PRKACA
SCHEMBL4739859 0.82 KDR (0.63) KDRLCKCSF1RFGFR1PRKACA
SCHEMBL3363647 0.81 KDR (0.68) KDRLCKCSF1RFGFR1PRKACA
SCHEMBL27657299 0.81 KDR (0.65) KDRLCKCSF1RFGFR1PRKACA
SCHEMBL4739562 0.81 KDR (0.74) KDRLCKCSF1RFGFR1PRKACA

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