SCHEMBL16743228

SCHEMBL16743228

N#Cc1ccccc1Nc1nc(N[C@@H]2CCCC[C@@H]2N)nnc1C(N)=O

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.74
▸ KCNH2 Q12809 2/20 0.66
▸ BUB1 O43683 1/20 0.66
▸ JAK2 O60674 1/20 0.66
▸ PAK4 O96013 1/20 0.66
▸ ROS1 P08922 1/20 0.66
▸ AXL P30530 1/20 0.66
▸ ZAP70 P43403 1/20 0.66
▸ IRAK1 P51617 1/20 0.66
▸ MERTK Q12866 1/20 0.66
▸ SLK Q9H2G2 1/20 0.66
▸ PAK6 Q9NQU5 1/20 0.66
▸ PAK5 Q9P286 1/20 0.66
▸ MAP3K2 Q9Y2U5 1/20 0.66
▸ AURKB Q96GD4 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
SCHEMBL15389119 0.85 SYK (1.00) SYKKCNH2BUB1JAK2PAK4
SCHEMBL14838995 0.85 SYK (0.69) SYKKCNH2BUB1JAK2PAK4
SCHEMBL16743186 0.83 SYK (0.71) SYKKCNH2BUB1JAK2PAK4
SCHEMBL16743605 0.82 SYK (0.66) SYKKCNH2BUB1JAK2PAK4
SCHEMBL16743607 0.81 SYK (0.64) SYKKCNH2AURKB
SCHEMBL16743602 0.81 SYK (0.73) SYKKCNH2BUB1JAK2PAK4
SCHEMBL14839013 0.80 SYK (0.70) SYKKCNH2BUB1JAK2PAK4
SCHEMBL16743179 0.80 SYK (0.68) SYKKCNH2BUB1JAK2PAK4
SCHEMBL14838925 0.79 SYK (1.00) SYKKCNH2BUB1JAK2PAK4
SCHEMBL14838991 0.79 SYK (0.69) SYKKCNH2BUB1JAK2PAK4

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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