SCHEMBL24015489

SCHEMBL24015489

CC(=O)NC1CCCn2c(C)nnc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.34
ADORA2A P29274 5/20 0.34
ADORA1 P30542 5/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
AKT1 P31749 1/20 0.31
GAA P10253 2/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL11983449 0.78 POLB (0.36) POLB
SCHEMBL8554423 0.71 POLB (0.41) POLB
SCHEMBL11983378 0.70 P2RX7 (0.31) POLB
SCHEMBL17725481 0.68 ADORA1 (0.39) KDM4EPOLBADORA1HSD17B10
SCHEMBL11983393 0.67 CDC42 (0.36) KDM4EPOLBHSD17B10
SCHEMBL8555097 0.66 POLB (0.44) POLB
SCHEMBL24015506 0.66 AKT1 (0.36) KDM4EADORA2AADORA1AKT1
SCHEMBL24015503 0.65 KDM4E (0.41) KDM4ECYP11B1CYP11B2
SCHEMBL25103316 0.65 MTNR1A (0.38) KDM4EPOLBCA1CA2CA12
SCHEMBL12890263 0.62 NAMPT (0.47) KDM4E

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
WO-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO disclosed