SCHEMBL25542545

SCHEMBL25542545

Cc1cc[nH]c(=O)c1CNC(=O)c1cc(-c2cccc(CN3CCN(C)CC3)c2)nc(NC(C)C)c1C=N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 8/20 0.42
▸ EZH2 Q15910 7/20 0.39
▸ PARP1 P09874 1/20 0.37
▸ KISS1R Q969F8 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ SLC2A1 P11166 1/20 0.35
▸ EED O75530 1/20 0.35
▸ RBBP4 Q09028 1/20 0.35
▸ SUZ12 Q15022 1/20 0.35
▸ AEBP2 Q6ZN18 1/20 0.35
▸ EZH1 Q92800 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35

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
SCHEMBL25542301 0.91 EZH2 (0.48) CHRM3EZH2EEDRBBP4SUZ12
SCHEMBL19391593 0.88 CHRM3 (0.42) CHRM3EZH2PARP1KISS1RNTRK1
SCHEMBL25542508 0.85 EZH2 (0.40) EZH2PARP1EEDRBBP4SUZ12
SCHEMBL19391614 0.84 EZH2 (0.57) EZH2EZH1
SCHEMBL25542018 0.83 EZH2 (0.56) EZH2EZH1
SCHEMBL19391414 0.80 EZH2 (0.46) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL20170064 0.80 CHRM3 (0.37) CHRM3EZH2PARP1KISS1RNTRK1
SCHEMBL12684127 0.80 EZH2 (0.61) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL19391318 0.80 EZH2 (0.38) EZH2
SCHEMBL19391378 0.80 NMT1 (0.42) CHRM3PARP1

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
EP-3323820-B1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS EPIZYME INC (US) 2023-05-10 — — EP disclosed
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