SCHEMBL14985226

SCHEMBL14985226

CNC(=O)c1ncc(N[C@@H]2CCNC2)nc1Nc1cccc(-c2ncccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 7/20 0.46
▸ KCNH2 Q12809 4/20 0.46
▸ MAPK1 P28482 4/20 0.46
▸ MAPK3 P27361 3/20 0.46
▸ AURKB Q96GD4 3/20 0.46
▸ PRKCI P41743 7/20 0.43
▸ ROCK2 O75116 3/20 0.41
▸ ROCK1 Q13464 3/20 0.41
▸ IGF1R P08069 2/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ BTK Q06187 2/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ RPS6KA5 O75582 1/20 0.41
▸ PRKD3 O94806 1/20 0.41

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
SCHEMBL14955659 0.90 SYK (0.51) SYKKCNH2MAPK1MAPK3AURKB
SCHEMBL14955662 0.90 SYK (0.51) SYKKCNH2MAPK1MAPK3AURKB
SCHEMBL14955573 0.78 SYK (0.68) SYKKCNH2MAPK1MAPK3AURKB
SCHEMBL14955572 0.78 SYK (0.68) SYKKCNH2MAPK1MAPK3AURKB
SCHEMBL14961934 0.76 BTK (0.54) SYKKCNH2MAPK1PRKCIROCK2
SCHEMBL14955221 0.76 BTK (0.54) SYKKCNH2MAPK1PRKCIROCK2
SCHEMBL14955218 0.76 BTK (0.54) SYKKCNH2MAPK1PRKCIROCK2
SCHEMBL14976634 0.76 SYK (0.76) SYKKCNH2MAPK1MAPK3AURKB
SCHEMBL14976632 0.76 SYK (0.76) SYKKCNH2MAPK1MAPK3AURKB
SCHEMBL18296158 0.74 BTK (0.49) SYKKCNH2MAPK1MAPK3AURKB

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
WO-2013078466-A1 PYRAZINE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 — — WO disclosed
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