SCHEMBL24547768

SCHEMBL24547768

CC(=O)N1CCN(C(=O)c2cc3c4c(c(N)nc3cn2)COC4)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.36
MAP4K4 O95819 1/20 0.35
CCNE1 P24864 4/20 0.35
CDK2 P24941 4/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPC6 Q9Y210 2/20 0.33
SYK P43405 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
PRMT5 O14744 1/20 0.33
KCNH2 Q12809 1/20 0.33
CNR2 P34972 1/20 0.33
PTPN11 Q06124 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL24547734 0.89 SMN1; SMN2 (0.45) CCNE1CDK2NPC1RAB9AKMT2A
SCHEMBL27267989 0.89 CNR1 (0.42) CCNE1CDK2NPC1RAB9ACNR2
SCHEMBL24547740 0.87 RAB9A (0.36) NPC1RAB9AKMT2ASMN1; SMN2CNR2
SCHEMBL24468603 0.80 KDM4E (0.35) MAP4K4KMT2ASMN1; SMN2PRMT5KCNH2
SCHEMBL29650940 0.80 KDM4E (0.35) MAP4K4KMT2ASMN1; SMN2PRMT5KCNH2
SCHEMBL29138848 0.79 EIF4A3 (0.37) TRPC6PRMT5KCNH2
SCHEMBL24540932 0.79 EIF4A3 (0.37) TRPC6PRMT5KCNH2
SCHEMBL29686097 0.78 KDM4E (0.32)
SCHEMBL24468209 0.78 KDM4E (0.32)
Hydrochloric Acid SCHEMBL29106338 0.77 KDM4E (0.31)

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-2022132914-A1 PRMTS INHIBITORS AMGEN INC. (US) 2022-06-23 WO disclosed