SCHEMBL16743352

SCHEMBL16743352

NC(=O)c1nnc(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1ccc2c(c1)COC2

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.52
▸ KCNH2 Q12809 1/20 0.47
▸ AURKB Q96GD4 1/20 0.44

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
SCHEMBL16743372 0.94 SYK (0.50) SYKKCNH2AURKB
SCHEMBL16743369 0.91 SYK (0.53) SYKKCNH2AURKB
SCHEMBL16743359 0.87 SYK (0.51) SYKKCNH2AURKB
SCHEMBL14956091 0.86 IRAK4 (0.51) SYKKCNH2
SCHEMBL16743333 0.85 SYK (0.58) SYKKCNH2
SCHEMBL16743277 0.84 SYK (0.59) SYKKCNH2AURKB
SCHEMBL16743336 0.84 SYK (0.57) SYKKCNH2
SCHEMBL16743375 0.83 SYK (0.56) SYKKCNH2
SCHEMBL16743318 0.83 SYK (0.60) SYKKCNH2AURKB
SCHEMBL16743173 0.82 SYK (0.76) SYKKCNH2AURKB

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
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 — — US disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 — — US disclosed
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