SCHEMBL16743175

SCHEMBL16743175

NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(F)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.73
▸ KCNH2 Q12809 3/20 0.73
▸ AURKB Q96GD4 1/20 0.62
▸ BUB1 O43683 1/20 0.61
▸ JAK2 O60674 1/20 0.61
▸ PAK4 O96013 1/20 0.61
▸ ROS1 P08922 1/20 0.61
▸ AXL P30530 1/20 0.61
▸ ZAP70 P43403 1/20 0.61
▸ IRAK1 P51617 1/20 0.61
▸ MERTK Q12866 1/20 0.61
▸ SLK Q9H2G2 1/20 0.61
▸ PAK6 Q9NQU5 1/20 0.61
▸ PAK5 Q9P286 1/20 0.61
▸ MAP3K2 Q9Y2U5 1/20 0.61

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
SCHEMBL16743159 0.90 SYK (0.71) SYKKCNH2AURKB
SCHEMBL16743166 0.88 SYK (0.73) SYKKCNH2AURKBBUB1JAK2
SCHEMBL16743160 0.88 SYK (0.68) SYKKCNH2AURKBBUB1JAK2
SCHEMBL16743186 0.88 SYK (0.71) SYKKCNH2AURKBBUB1JAK2
SCHEMBL16743289 0.88 SYK (0.69) SYKKCNH2AURKBBUB1JAK2
SCHEMBL16743209 0.87 SYK (0.70) SYKKCNH2AURKB
SCHEMBL16743261 0.86 SYK (0.67) SYKKCNH2AURKBBUB1JAK2
SCHEMBL16743602 0.86 SYK (0.73) SYKKCNH2AURKBBUB1JAK2
SCHEMBL16743162 0.85 SYK (0.65) SYKKCNH2AURKB
SCHEMBL16743161 0.85 SYK (0.65) 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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