SCHEMBL16743296

SCHEMBL16743296

Cc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)nnc2C(N)=O)sn1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 18/20 0.48
▸ AURKB Q96GD4 1/20 0.48
▸ LCK P06239 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ BTK Q06187 1/20 0.43

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
SCHEMBL15935592 0.85 SYK (0.65) SYKAURKB
SCHEMBL18296318 0.79 BTK (0.62) LCKJAK3BTK
SCHEMBL23080770 0.79 JAK3 (0.48) SYKAURKBLCKJAK3BTK
SCHEMBL16743216 0.78 SYK (0.56) SYKAURKBBTK
SCHEMBL5025898 0.77 SYK (0.46) SYKLCKJAK3BTK
SCHEMBL23080760 0.77 JAK3 (0.45) SYKAURKBLCKJAK3BTK
SCHEMBL5026842 0.77 SYK (0.49) SYKLCKJAK3BTK
SCHEMBL16743259 0.76 SYK (0.63) SYKAURKBLCKJAK3
SCHEMBL23080862 0.76 JAK3 (0.52) SYKAURKBLCKJAK3BTK
SCHEMBL10250525 0.75 FER (0.40) SYKLCKJAK3BTK

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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