SCHEMBL16743291

SCHEMBL16743291

Cn1cc(C#N)c2ccc(Nc3nc(N[C@@H]4CCOC[C@@H]4N)nnc3C(N)=O)cc21

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.62
▸ AURKB Q96GD4 2/20 0.54
▸ KDR P35968 1/20 0.54
▸ JAK2 O60674 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ LYN P07948 1/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ MAPK3 P27361 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ZAP70 P43403 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ TYRO3 Q06418 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47

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
SCHEMBL16743254 0.89 SYK (0.65) SYKKCNH2
SCHEMBL16743284 0.84 SYK (0.71) SYKAURKBKDRJAK2LCK
SCHEMBL16743316 0.82 SYK (0.51) SYKKCNH2
SCHEMBL16743597 0.81 SYK (0.62) SYKAURKBKDRJAK2LCK
SCHEMBL16743268 0.80 SYK (0.74) SYKAURKBKDRJAK2LCK
SCHEMBL16743329 0.79 SYK (0.45) SYK
SCHEMBL16743155 0.79 SYK (0.72) SYKAURKBKDRJAK2LCK
SCHEMBL16743194 0.78 SYK (0.66) SYKAURKBKDRJAK2LCK
SCHEMBL16253411 0.78 SYK (0.80) SYKAURKBKDR
SCHEMBL16743379 0.78 SYK (0.71) SYKAURKBKDRJAK2LCK

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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