SCHEMBL14641982

SCHEMBL14641982

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5c(F)ccc(F)c5CI)cc34)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.67
KIT P10721 15/20 0.63
FLT3 P36888 11/20 0.63
AURKA O14965 1/20 0.60
INSR P06213 1/20 0.60
IGF1R P08069 1/20 0.60
AURKB Q96GD4 1/20 0.60
ALK Q9UM73 1/20 0.60
FGFR1 P11362 1/20 0.54

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
SCHEMBL12126998 0.92 NTRK1 (0.67) NTRK1KITFLT3AURKAINSR
SCHEMBL14642075 0.92 KIT (0.59) NTRK1KITFLT3AURKAINSR
SCHEMBL1336372 0.91 NTRK1 (0.71) NTRK1KITFLT3AURKAINSR
SCHEMBL1334247 0.87 NTRK1 (0.70) NTRK1KITFLT3AURKAINSR
SCHEMBL1335582 0.85 NTRK1 (0.79) NTRK1KITFLT3AURKAINSR
SCHEMBL12127360 0.84 KIT (0.59) NTRK1KITFLT3AURKAINSR
SCHEMBL1334861 0.84 KIT (0.87) NTRK1KITFLT3AURKAINSR
SCHEMBL1336278 0.83 KIT (0.73) NTRK1KITFLT3AURKAINSR
SCHEMBL1334201 0.82 NTRK1 (0.60) NTRK1KITFLT3AURKAINSR
SCHEMBL1336567 0.82 NTRK1 (0.60) NTRK1KITFLT3AURKAINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354399-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-15 US disclosed