SCHEMBL27636397

SCHEMBL27636397

NC(=O)N(c1ccc(-c2ccc(CN3CCOCC3)c3onc(N)c23)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.62
KIT P10721 7/20 0.51
KDR P35968 7/20 0.51
FLT3 P36888 6/20 0.51
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
SCN9A Q15858 2/20 0.43
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
FLT1 P17948 1/20 0.42
TEK Q02763 1/20 0.42
HDAC1 Q13547 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC8 Q9BY41 3/20 0.41
THRB P10828 1/20 0.41
HDAC5 Q9UQL6 2/20 0.39
MET P08581 1/20 0.37
F10 P00742 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL27636370 0.89 IKBKE (0.67) IKBKEKITKDRFLT3ALOX5AP
SCHEMBL6798531 0.88 KDR (0.59) IKBKEKITKDRFLT3CSF1R
SCHEMBL27657320 0.88 KDR (0.51) IKBKEKITKDRFLT3ALOX5AP
SCHEMBL27636455 0.88 KIT (0.53) IKBKEKITKDRFLT3CSF1R
SCHEMBL27657354 0.88 KDR (0.51) IKBKEKITKDRFLT3ALOX5AP
SCHEMBL27657311 0.86 KDR (0.56) IKBKEKITKDRFLT3ALOX5AP
SCHEMBL14953303 0.85 KDR (0.49) IKBKEKITKDRFLT3SCN9A
SCHEMBL420675 0.82 IKBKE (0.81) IKBKEKITKDRFLT3CSF1R
SCHEMBL425369 0.82 KDR (0.49) IKBKEKITKDRFLT3CSF1R
SCHEMBL5257214 0.81 KDR (0.51) IKBKEKITKDRFLT3CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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