SCHEMBL27657288

SCHEMBL27657288

NC(=O)N(c1ccc(-c2ccc(CN3CCOCC3)c3[nH]nc(N)c23)cc1)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.52
KIT P10721 5/20 0.52
FLT3 P36888 5/20 0.52
IKBKE Q14164 1/20 0.46
ABL1 P00519 4/20 0.41
BCR P11274 4/20 0.41
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
DDR1 Q08345 2/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
F10 P00742 1/20 0.36
JAK2 O60674 1/20 0.35

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
SCHEMBL27657473 0.89 IKBKE (0.51) KDRKITFLT3IKBKEABL1
SCHEMBL27657311 0.88 KDR (0.56) KDRKITFLT3IKBKEABL1
SCHEMBL28760142 0.87 KDR (0.58) KDRKITFLT3IKBKEABL1
SCHEMBL419924 0.84 KDR (0.71) KDRKITFLT3IKBKEABL1
SCHEMBL27657441 0.83 KDR (0.57) KDRKITFLT3IKBKEABL1
SCHEMBL27636394 0.81 KDR (0.51) KDRKITFLT3ABL1BCR
SCHEMBL27657347 0.80 KDR (0.49) KDRKITFLT3ABL1BCR
SCHEMBL424601 0.80 KDR (0.56) KDRKITFLT3IKBKEABL1
SCHEMBL27636391 0.77 KDR (0.49) KDRKITFLT3ABL1BCR
SCHEMBL27657344 0.77 KDR (0.69) KDRKITFLT3ABL1BCR

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 3 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-101827584-A Solid dispersion product of N-aryl ureido drugs ABBOTT GMBH & CO KG 2010-09-08 CN disclosed