SCHEMBL16743155

SCHEMBL16743155

Cc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.72
▸ AURKB Q96GD4 4/20 0.72
▸ MAPK3 P27361 4/20 0.72
▸ MAPK1 P28482 4/20 0.72
▸ KCNH2 Q12809 3/20 0.72
▸ JAK2 O60674 1/20 0.72
▸ LCK P06239 1/20 0.72
▸ LYN P07948 1/20 0.72
▸ JAK1 P23458 1/20 0.72
▸ ZAP70 P43403 1/20 0.72
▸ JAK3 P52333 1/20 0.72
▸ TYRO3 Q06418 1/20 0.72
▸ KDR P35968 1/20 0.59

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
SCHEMBL16743365 0.90 SYK (0.65) SYKAURKBMAPK3MAPK1KCNH2
SCHEMBL16743287 0.90 SYK (0.70) SYKAURKBMAPK3MAPK1KCNH2
SCHEMBL16743268 0.90 SYK (0.74) SYKAURKBMAPK3MAPK1KCNH2
SCHEMBL16743597 0.88 SYK (0.62) SYKAURKBMAPK3MAPK1KCNH2
SCHEMBL16743379 0.87 SYK (0.71) SYKAURKBMAPK3MAPK1KCNH2
SCHEMBL16743194 0.84 SYK (0.66) SYKAURKBMAPK3MAPK1KCNH2
SCHEMBL14956249 0.83 SYK (0.68) SYKAURKBMAPK3MAPK1KCNH2
SCHEMBL1312033 0.83 SYK (1.00) SYKAURKBMAPK3MAPK1KCNH2
SCHEMBL16743356 0.83 SYK (0.61) SYKAURKBMAPK3MAPK1KCNH2
SCHEMBL16743284 0.83 SYK (0.71) SYKAURKBMAPK3MAPK1KCNH2

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