SCHEMBL14976220

SCHEMBL14976220

Cc1ccc(Nc2nc(NCCCC3(N)CC3)ncc2C(N)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.70
ZAP70 P43403 4/20 0.70
MAPK8 P45983 6/20 0.56
KCNH2 Q12809 3/20 0.55
AURKB Q96GD4 3/20 0.55
MAPK3 P27361 2/20 0.53
MAPK1 P28482 2/20 0.53
JAK2 O60674 1/20 0.50
LCK P06239 1/20 0.50
LYN P07948 1/20 0.50
JAK1 P23458 1/20 0.50
JAK3 P52333 1/20 0.50
TYRO3 Q06418 1/20 0.50
STAT6 P42226 1/20 0.50

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
SCHEMBL14975932 0.89 SYK (0.72) SYKZAP70KCNH2AURKBMAPK3
SCHEMBL4716047 0.83 SYK (1.00) SYKZAP70MAPK8KCNH2AURKB
SCHEMBL2714938 0.81 SYK (0.48) SYKZAP70MAPK8KCNH2AURKB
SCHEMBL1354389 0.78 SYK (0.77) SYKZAP70KCNH2AURKB
SCHEMBL2627126 0.77 MAPK8 (0.69) SYKZAP70MAPK8KCNH2AURKB
SCHEMBL14976169 0.77 SYK (0.72) SYKZAP70
SCHEMBL14976172 0.77 SYK (0.72) SYKZAP70
SCHEMBL16195189 0.76 SYK (0.59) SYKZAP70MAPK8KCNH2AURKB
SCHEMBL16195188 0.76 SYK (0.59) SYKZAP70MAPK8KCNH2AURKB
SCHEMBL14981677 0.76 SYK (0.59) SYKZAP70MAPK8KCNH2AURKB

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-2782580-A1 SELECTIVE KINASE INHIBITORS Portola Pharmaceuticals, Inc. (US) 2014-10-01 EP disclosed
WO-2013078468-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 WO disclosed