SCHEMBL30845874

SCHEMBL30845874

CNC(=O)c1cn2nc(C(F)(F)F)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
RBP4 P02753 4/20 0.39
KDM4E B2RXH2 5/20 0.38
RAB9A P51151 5/20 0.38
CSNK1D P48730 2/20 0.38
CSNK1E P49674 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PIK3CG P48736 1/20 0.37
NOTUM Q6P988 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
P2RX7 Q99572 1/20 0.35
NPC1 O15118 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GLS O94925 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL21033315 0.85 PTGS1 (0.41) RBP4KDM4ERAB9ACSNK1DCSNK1E
SCHEMBL30845789 0.81 TGFBR1 (0.43) RBP4KDM4ECSNK1DCSNK1EALDH1A1
SCHEMBL26395116 0.78 DRD2 (0.41) DRD2DRD3KDM4ERAB9AALDH1A1
SCHEMBL2514311 0.78 PIK3CG (0.39) KDM4ERAB9APIK3CGNPC1RXFP1
SCHEMBL21033482 0.77 KDM4E (0.61) KDM4ERAB9AALDH1A1NPC1RXFP1
SCHEMBL30845761 0.73 MCHR1 (0.48) KDM4ERAB9AALDH1A1NPC1
SCHEMBL14903857 0.72 JUN (0.41) KDM4ERAB9AALDH1A1NOTUMP2RX7
SCHEMBL17232815 0.72 DYRK1A (0.49) RBP4KDM4ERAB9AALDH1A1NPC1
SCHEMBL2364683 0.72 PIK3CA (0.43) CSNK1DCSNK1E
SCHEMBL30845788 0.72 GLS (0.37) DRD2DRD3KDM4ERAB9AALDH1A1

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
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN disclosed