SCHEMBL16743597

SCHEMBL16743597

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

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 19/20 0.62
▸ AURKB Q96GD4 3/20 0.57
▸ KDR P35968 1/20 0.57
▸ MAPK3 P27361 3/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ KCNH2 Q12809 3/20 0.56
▸ JAK2 O60674 2/20 0.56
▸ JAK1 P23458 2/20 0.56
▸ JAK3 P52333 2/20 0.56
▸ LCK P06239 1/20 0.56
▸ LYN P07948 1/20 0.56
▸ ZAP70 P43403 1/20 0.56
▸ TYRO3 Q06418 1/20 0.56
▸ TYK2 P29597 1/20 0.49

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 0.88 SYK (0.65) SYKAURKBKDRMAPK3MAPK1
SCHEMBL16743155 0.88 SYK (0.72) SYKAURKBKDRMAPK3MAPK1
SCHEMBL16743287 0.88 SYK (0.70) SYKAURKBKDRMAPK3MAPK1
SCHEMBL16743605 0.87 SYK (0.66) SYKAURKBKCNH2JAK2ZAP70
SCHEMBL14975680 0.84 SYK (0.78) SYKAURKBMAPK3MAPK1KCNH2
SCHEMBL16743268 0.83 SYK (0.74) SYKAURKBKDRMAPK3MAPK1
SCHEMBL16743291 0.81 SYK (0.62) SYKAURKBKDRMAPK3MAPK1
SCHEMBL16743379 0.81 SYK (0.71) SYKAURKBKDRMAPK3MAPK1
SCHEMBL14838959 0.80 SYK (0.78) SYKAURKBKDRMAPK3MAPK1
SCHEMBL15935611 0.80 SYK (0.64) SYKAURKBKDRMAPK3MAPK1

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 1 patent. 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
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