SCHEMBL4075886

SCHEMBL4075886

O=c1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)[nH]c-2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.46
VCP P55072 1/20 0.45
JAK2 O60674 8/20 0.45
AURKA O14965 2/20 0.43
JAK3 P52333 2/20 0.43
TBK1 Q9UHD2 1/20 0.43
MAPK10 P53779 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCND2 P30279 1/20 0.42
CCND3 P30281 1/20 0.42
ZAP70 P43403 1/20 0.42

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
SCHEMBL23712415 0.76 MAPK10 (0.50) SYKAURKAMAPK10MAPK8TP53
SCHEMBL16423097 0.74 MAPK10 (0.49) JAK2AURKAMAPK10MAPK13MAPK8
SCHEMBL4724183 0.71 MAPT (0.49) SYKJAK2MAPK10TP53MAPT
SCHEMBL14547699 0.69 XDH (0.54) SYKJAK2TP53MAPTMAPK1
SCHEMBL15349719 0.68 MAPT (0.62) SYKTP53MAPTMAPK1
SCHEMBL7980595 0.68 MAPT (0.62) SYKVCPJAK2TP53MAPT
SCHEMBL4382248 0.68 TTBK1 (0.56) JAK3TP53MAPTMAPK1ZAP70
SCHEMBL4075884 0.67 MAPT (0.41) SYKVCPJAK2AURKAJAK3
SCHEMBL4411964 0.64 TTBK1 (0.49) SYKJAK2AURKAJAK3TBK1
SCHEMBL6895297 0.64 PLK4 (0.52) VCPJAK2JAK3MAPK10TP53

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
EP-2084159-A1 PYRIDO Ý2, 3-D¨PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS GPC Biotech Inc. (US) 2009-08-05 EP disclosed
WO-2008047307-A1 PYRIDO [2, 3-D] PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS GPC BIOTECH INC. (US) 2008-04-24 WO disclosed