SCHEMBL30124692

SCHEMBL30124692

CC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.45
PRKDC P78527 1/20 0.41
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
FYN P06241 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
ACVR1B P36896 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
SRC P12931 1/20 0.38
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
PIK3CD O00329 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
SCHEMBL24719664 1.00 MAPKAPK2 (0.45) MAPKAPK2PRKDCCCNCCDK8FYN
Bromide SCHEMBL29182796 0.99 MAPKAPK2 (0.44) MAPKAPK2PRKDCCCNCCDK8FYN
SCHEMBL30124375 0.90 MAPKAPK2 (0.43) MAPKAPK2FYNMAPTSRCCHEK1
SCHEMBL24951667 0.90 MAPKAPK2 (0.43) MAPKAPK2MAPTSRCCHEK1AURKA
SCHEMBL24719366 0.90 MAPKAPK2 (0.43) MAPKAPK2FYNMAPTSRCCHEK1
SCHEMBL24720315 0.90 AURKA (0.45) MAPKAPK2CDK8FYNMAPTSRC
SCHEMBL30931091 0.89 PRKD1 (0.41) PRKDCMAPTLMNATP53AURKA
SCHEMBL24719338 0.89 PRKD1 (0.41) PRKDCMAPTLMNATP53AURKA
SCHEMBL24719739 0.88 MAPT (0.47) PRKDCFYNMAPTLMNATP53
SCHEMBL24952054 0.88 MAPKAPK2 (0.43) MAPKAPK2CCNCCDK8SRCCHEK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4351560-A1 ANTICANCER COMPOUNDS The Regents of the University of California (US) 2024-04-17 EP disclosed
CN-117794525-A Anticancer compounds 加利福尼亚大学董事会 2024-03-29 CN disclosed
WO-2022261204-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-15 WO disclosed