SCHEMBL25244656

SCHEMBL25244656

COC(=O)c1ccc2c(c1)nc(NCc1ccc(Cl)cc1)n1cc(C)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.53
TBXA2R P21731 3/20 0.53
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
F2 P00734 2/20 0.44
CNR1 P21554 1/20 0.43
CSNK2A1 P68400 1/20 0.41
ZAP70 P43403 1/20 0.41
KARS1 Q15046 1/20 0.41
CTNNB1 P35222 2/20 0.40
TCF7L2 Q9NQB0 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
P2RX3 P56373 1/20 0.39

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
SCHEMBL25294125 0.90 DRD2 (0.43) DRD2TBXA2RCSNK2A2CSNK2BCNR1
SCHEMBL30486976 0.90 DRD2 (0.43) DRD2TBXA2RCSNK2A2CSNK2BCNR1
SCHEMBL25282610 0.90 DRD2 (0.44) DRD2TBXA2RCSNK2A2CSNK2BF2
SCHEMBL30487001 0.85 DRD2 (0.48) DRD2TBXA2RCSNK2A2CSNK2BCSNK2A1
SCHEMBL25242985 0.80 CSNK2A1 (0.46) CSNK2A2CSNK2BCSNK2A1KDM4EMAPT
SCHEMBL2117975 0.80 DRD2 (0.57) DRD2TBXA2RF2NPC1RAB9A
SCHEMBL30487011 0.80 PDE5A (0.49) CSNK2A2CSNK2BCSNK2A1MAPTRXFP1
SCHEMBL25252495 0.80 PDE5A (0.49) CSNK2A2CSNK2BCSNK2A1MAPTRXFP1
SCHEMBL25789845 0.79 CSNK2A1 (0.45) CSNK2A2CSNK2BCSNK2A1
SCHEMBL30486957 0.79 CSNK2A1 (0.45) CSNK2A2CSNK2BCSNK2A1

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-2023126951-A1 INHIBITORS OF AUTOPHAGY-RELATED PROTEIN-PROTEIN INTERACTIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-07-06 WO disclosed