SCHEMBL14391603

SCHEMBL14391603

C[S+]([O-])N1C=C(c2cccc3cnc(NC4CCC(O)CC4)nc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 7/20 0.57
▸ JUN P05412 2/20 0.57
▸ MAPK8 P45983 7/20 0.43
▸ MAPK9 P45984 5/20 0.42
▸ RIPK2 O43353 1/20 0.39
▸ CCNE1 P24864 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ CCND1 P24385 2/20 0.39
▸ CDK6 Q00534 2/20 0.39
▸ ADORA1 P30542 3/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ GSK3A P49840 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ AXL P30530 2/20 0.37
▸ TYRO3 Q06418 2/20 0.37
▸ MERTK Q12866 2/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ GAS6 Q14393 1/20 0.37

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
SCHEMBL559527 0.83 MAPK10 (0.57) MAPK10JUNMAPK8MAPK9CCNE1
SCHEMBL559503 0.83 MAPK10 (0.57) MAPK10JUNMAPK8MAPK9RIPK2
SCHEMBL559502 0.83 MAPK10 (0.57) MAPK10JUNMAPK8MAPK9RIPK2
SCHEMBL559526 0.83 MAPK10 (0.57) MAPK10JUNMAPK8MAPK9CCNE1
SCHEMBL558932 0.75 MAPK10 (0.72) MAPK10JUNMAPK8MAPK9RIPK2
SCHEMBL559509 0.75 MAPK10 (0.76) MAPK10JUNMAPK8MAPK9RIPK2
SCHEMBL559508 0.75 MAPK10 (0.76) MAPK10JUNMAPK8MAPK9RIPK2
SCHEMBL558933 0.75 MAPK10 (0.72) MAPK10JUNMAPK8MAPK9RIPK2
SCHEMBL560048 0.74 MAPK10 (0.75) MAPK10JUNMAPK8MAPK9RIPK2
SCHEMBL560047 0.74 MAPK10 (0.75) MAPK10JUNMAPK8MAPK9RIPK2

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
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