SCHEMBL14391744

SCHEMBL14391744

C[S+]([O-])N1CCC(c2cccc3cnc(N[C@H]4CC[C@H](O)CC4)nc23)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.52
JUN P05412 2/20 0.52
MAPK8 P45983 8/20 0.43
MAPK9 P45984 6/20 0.41
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
RIPK2 O43353 1/20 0.39
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK6 Q00534 1/20 0.38
ADORA1 P30542 3/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 1/20 0.38
LRRK2 Q5S007 2/20 0.38
AXL P30530 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36

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
SCHEMBL558334 0.82 CDK2 (0.53) MAPK10JUNCCND1CCNE1CDK2
SCHEMBL10166128 0.82 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9CCND1
SCHEMBL558335 0.82 CDK2 (0.53) MAPK10JUNCCND1CCNE1CDK2
SCHEMBL559554 0.80 MAPK10 (0.50) MAPK10JUNMAPK8MAPK9CCND1
SCHEMBL559555 0.80 MAPK10 (0.50) MAPK10JUNMAPK8MAPK9CCND1
SCHEMBL14391603 0.74 MAPK10 (0.57) MAPK10JUNMAPK8MAPK9GSK3A
SCHEMBL559175 0.73 MAPK10 (0.63) MAPK10JUNMAPK8MAPK9GSK3A
SCHEMBL559174 0.73 MAPK10 (0.63) MAPK10JUNMAPK8MAPK9GSK3A
SCHEMBL559274 0.72 MAPK10 (0.62) MAPK10JUNMAPK8MAPK9GSK3A
SCHEMBL559273 0.72 MAPK10 (0.62) MAPK10JUNMAPK8MAPK9GSK3A

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-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed