SCHEMBL16835308

SCHEMBL16835308

CSc1ncc(C(F)(F)F)c(N[C@H]2C[C@H](O)C2(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 6/20 0.45
▸ PRKCD Q05655 6/20 0.45
▸ MAT2A P31153 1/20 0.38
▸ ULK1 O75385 6/20 0.37
▸ KDR P35968 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ FLT3 P36888 3/20 0.35
▸ ULK2 Q8IYT8 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ KIT P10721 2/20 0.34
▸ PTK2 Q05397 1/20 0.34

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
SCHEMBL16822075 1.00 PRKCQ (0.45) PRKCQPRKCDMAT2AULK1KDR
SCHEMBL16835307 1.00 PRKCQ (0.45) PRKCQPRKCDMAT2AULK1KDR
SCHEMBL28115998 0.79 PRKCQ (0.44) PRKCQPRKCDMAT2AULK1KDR
SCHEMBL16821995 0.79 PRKCQ (0.44) PRKCQPRKCDMAT2AULK1KDR
SCHEMBL16822136 0.79 PRKCQ (0.44) PRKCQPRKCDMAT2AULK1KDR
SCHEMBL16822089 0.79 PRKCQ (0.52) PRKCQPRKCDMAT2AMERTK
SCHEMBL16822124 0.79 PRKCQ (0.52) PRKCQPRKCDMAT2AMERTK
SCHEMBL28115997 0.77 PRKCQ (0.44) PRKCQPRKCDMAT2AULK1KDR
SCHEMBL25201215 0.74 ULK1 (0.47) ULK1FLT3ULK2KIT
SCHEMBL16846056 0.73 PRKCQ (0.80) PRKCQPRKCDPTK2

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
EP-3082819-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2016-10-26 — — EP disclosed
WO-2015095679-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2015-06-25 — — WO disclosed
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