SCHEMBL20051793

SCHEMBL20051793

CN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NI)sc5n4)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 11/20 0.74
RET P07949 8/20 0.74
BRAF P15056 2/20 0.74
STK10 O94804 1/20 0.74
ABL1 P00519 1/20 0.74
PDGFRA P16234 1/20 0.74
FLT1 P17948 1/20 0.74
CDK11B P21127 1/20 0.74
CDK2 P24941 1/20 0.74
FLT4 P35916 1/20 0.74
KDR P35968 1/20 0.74
FLT3 P36888 1/20 0.74
CDK7 P50613 1/20 0.74
MAPK12 P53778 1/20 0.74
CDK3 Q00526 1/20 0.74
CDK5 Q00535 1/20 0.74
TEK Q02763 1/20 0.74
DDR1 Q08345 1/20 0.74
HIPK1 Q86Z02 1/20 0.74
IRAK4 Q9NWZ3 1/20 0.70

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
SCHEMBL25639500 0.88 KIT (0.84) KITRETBRAFSTK10ABL1
SCHEMBL1696182 0.87 KIT (0.85) KITRETBRAFSTK10ABL1
SCHEMBL25639509 0.86 KIT (0.83) KITRETBRAFSTK10ABL1
SCHEMBL29381604 0.85 KIT (1.00) KITRETBRAFSTK10ABL1
SCHEMBL1696293 0.85 KIT (0.85) KITRETBRAFSTK10ABL1
SCHEMBL31060759 0.85 KIT (1.00) KITRETBRAFSTK10ABL1
SCHEMBL1696179 0.85 KIT (1.00) KITRETBRAFSTK10ABL1
SCHEMBL1696348 0.84 KIT (0.79) KITRETBRAFSTK10ABL1
SCHEMBL1696346 0.84 KIT (0.78) KITRETBRAFSTK10ABL1
SCHEMBL1696298 0.83 RET (0.76) KITRETBRAFSTK10ABL1

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
WO-2018066545-A1 HETEROCYCLIC COMPOUND 公益財団法人ヒューマンサイエンス振興財団 2018-04-12 WO disclosed