SCHEMBL16743191

SCHEMBL16743191

NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.76
▸ KCNH2 Q12809 1/20 0.58
▸ EML4 Q9HC35 1/20 0.55
▸ ALK Q9UM73 1/20 0.55

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
SCHEMBL16743172 0.88 SYK (0.60) SYKKCNH2
SCHEMBL14955463 0.86 SYK (0.72) SYKKCNH2EML4ALK
SCHEMBL1353801 0.86 SYK (1.00) SYKEML4ALK
SCHEMBL16743209 0.85 SYK (0.70) SYKKCNH2
SCHEMBL16743213 0.83 SYK (0.67) SYKKCNH2
SCHEMBL2627076 0.82 SYK (0.87) SYKEML4ALK
SCHEMBL16743167 0.81 SYK (0.67) SYKKCNH2
SCHEMBL16743607 0.80 SYK (0.64) SYKKCNH2
SCHEMBL16743297 0.80 SYK (0.64) SYKKCNH2
SCHEMBL16743160 0.80 SYK (0.68) 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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