SCHEMBL16743174

SCHEMBL16743174

NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ EML4 Q9HC35 1/20 0.56
▸ ALK Q9UM73 1/20 0.56
▸ AURKB Q96GD4 1/20 0.51

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 0.87 SYK (0.60) SYKKCNH2
SCHEMBL14961965 0.86 SYK (0.57) SYKKCNH2EML4ALK
SCHEMBL23080962 0.82 BTK (0.60) SYK
SCHEMBL20540648 0.81 BTK (0.66) —
SCHEMBL18296321 0.81 BTK (0.66) —
SCHEMBL16743176 0.79 SYK (0.68) SYKKCNH2AURKB
SCHEMBL16743160 0.79 SYK (0.68) SYKKCNH2AURKB
SCHEMBL16743186 0.79 SYK (0.71) SYKKCNH2AURKB
SCHEMBL16743230 0.78 SYK (0.63) SYKKCNH2
SCHEMBL16743191 0.78 SYK (0.76) SYKKCNH2EML4ALK

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
Send feedback