SCHEMBL16743282

SCHEMBL16743282

CN(C)c1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.64
▸ KCNH2 Q12809 1/20 0.60
▸ AURKB Q96GD4 1/20 0.56

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
SCHEMBL16743297 0.89 SYK (0.64) SYKKCNH2AURKB
SCHEMBL16743167 0.86 SYK (0.67) SYKKCNH2AURKB
SCHEMBL16743233 0.86 SYK (0.64) SYKKCNH2AURKB
SCHEMBL16743176 0.84 SYK (0.68) SYKKCNH2AURKB
SCHEMBL16743317 0.83 SYK (0.71) SYKKCNH2AURKB
SCHEMBL16743166 0.82 SYK (0.73) SYKKCNH2AURKB
SCHEMBL16743202 0.82 SYK (0.64) SYKKCNH2AURKB
SCHEMBL16253433 0.81 SYK (0.70) SYKKCNH2AURKB
SCHEMBL16743209 0.81 SYK (0.70) SYKKCNH2AURKB
SCHEMBL16253468 0.81 SYK (0.75) 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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