SCHEMBL28054397

SCHEMBL28054397

C#Cc1cc(C(=O)Nc2ccc(CN3CCN(CC)CC3)c(C(F)(F)F)c2)ccc1C

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.86
ABL1 P00519 8/20 0.66
HTT P42858 3/20 0.65
CLK1 P49759 1/20 0.64
MAPK1 P28482 1/20 0.63
ATM Q13315 1/20 0.63
CSF1R P07333 1/20 0.62
FGFR1 P11362 1/20 0.62
KDR P35968 1/20 0.62

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
SCHEMBL29856181 0.93 KIT (1.00) KITABL1CSF1RFGFR1KDR
SCHEMBL4103102 0.93 KIT (1.00) KITABL1CSF1RFGFR1KDR
SCHEMBL16250591 0.92 KIT (0.85) KITABL1CSF1RFGFR1KDR
SCHEMBL16755299 0.91 KIT (0.87) KITABL1CSF1RFGFR1KDR
SCHEMBL4095171 0.91 KIT (0.84) KITABL1CSF1RFGFR1KDR
SCHEMBL16250590 0.90 KIT (0.82) KITABL1CSF1RFGFR1KDR
SCHEMBL30080773 0.89 KIT (0.93) KITABL1CSF1RFGFR1KDR
SCHEMBL17936186 0.89 KIT (0.93) KITABL1CSF1RFGFR1KDR
SCHEMBL28054441 0.88 ABL1 (0.69) KITABL1HTT
SCHEMBL30309801 0.87 KIT (0.69) KITHTTCLK1MAPK1ATM

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
CN-103467385-B Bicyclic heteroaryl compounds ARIAD GENE THERAPEUTICS INC. (US) 2016-03-09 CN disclosed