SCHEMBL16743173

SCHEMBL16743173

NC(=O)c1nnc(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1ccc2ncccc2c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.76
▸ KCNH2 Q12809 1/20 0.50
▸ AURKB Q96GD4 1/20 0.46

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
SCHEMBL14956176 0.87 SYK (0.57) SYKKCNH2
SCHEMBL14981650 0.87 SYK (0.76) SYK
SCHEMBL15910650 0.86 SYK (1.00) SYKKCNH2AURKB
SCHEMBL16743223 0.85 SYK (0.58) SYKKCNH2AURKB
SCHEMBL16743333 0.84 SYK (0.58) SYKKCNH2
SCHEMBL16743369 0.83 SYK (0.53) SYKKCNH2AURKB
SCHEMBL16743318 0.83 SYK (0.60) SYKKCNH2AURKB
SCHEMBL16743277 0.83 SYK (0.59) SYKKCNH2AURKB
SCHEMBL5027280 0.83 SYK (0.57) SYKKCNH2
SCHEMBL18925902 0.83 SYK (0.57) SYKKCNH2

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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