SCHEMBL6265215

SCHEMBL6265215

O=C(Nc1ccccc1)c1cccc(-c2cn3ccnc3c(NC3CCC(O)CC3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.58
AURKA O14965 3/20 0.57
SYK P43405 12/20 0.56
ADORA3 P0DMS8 1/20 0.52
TMIGD3 P0DMS9 1/20 0.52
ATR Q13535 1/20 0.52
EPHB4 P54760 1/20 0.52
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 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
SCHEMBL6264936 0.89 MAPK8 (0.58) BTKAURKASYKADORA3TMIGD3
SCHEMBL6262086 0.88 SYK (0.60) BTKSYK
SCHEMBL6260383 0.86 SYK (0.59) BTKAURKASYKADORA3TMIGD3
SCHEMBL24864104 0.85 EPHB4 (0.58) BTKAURKASYKEPHB4
SCHEMBL6263073 0.85 RXFP1 (0.55) BTKAURKASYKEPHB4ALDH1A1
SCHEMBL6260272 0.85 MAPK8 (0.49) SYKEPHB4
SCHEMBL24864111 0.85 BTK (0.55) BTKAURKASYKEPHB4
SCHEMBL6260435 0.84 SYK (0.61) BTKAURKASYKADORA3TMIGD3
SCHEMBL6261492 0.82 MAPK8 (0.50) ADORA3TMIGD3
SCHEMBL6265223 0.82 PIK3CA (0.53) BTKAURKASYKEPHB4

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-2005085252-A1 IMIDAZO ‘1,2-A’ PYRAZINE COMPOUNDS WHICH INTERACT WITH PROTEIN KINASES BIOFOCUS DISCOVERY LIMITED (GB) 2005-09-15 WO claimed