SCHEMBL31203172

SCHEMBL31203172

COc1cc(-c2ccc(Cn3ccc4c(Cl)ccc(C(=O)NC5CC6(CCC6)C5)c43)cc2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.42
▸ CNR2 P34972 10/20 0.40
▸ CSNK2A2 P19784 8/20 0.39
▸ CSNK2A1 P68400 8/20 0.39
▸ BMPR1B O00238 1/20 0.37
▸ BMPR1A P36894 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ ACVRL1 P37023 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ CNR1 P21554 2/20 0.36

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
SCHEMBL31203168 0.93 CNR2 (0.39) WDR5CNR2CSNK2A2CSNK2A1BMPR1B
SCHEMBL21458238 0.91 CSNK2A2 (0.41) WDR5CNR2CSNK2A2CSNK2A1CNR1
SCHEMBL21485584 0.91 CSNK2A2 (0.41) WDR5CNR2CSNK2A2CSNK2A1CNR1
SCHEMBL31203566 0.91 CSNK2A2 (0.41) WDR5CNR2CSNK2A2CSNK2A1CNR1
SCHEMBL31203146 0.87 CNR2 (0.41) CNR2CSNK2A2CSNK2A1BMPR1BBMPR1A
SCHEMBL31203199 0.87 CNR2 (0.39) CNR2BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL31203176 0.86 CNR2 (0.42) CNR2CSNK2A2CSNK2A1BMPR1BBMPR1A
SCHEMBL22927083 0.85 CSNK2A2 (0.51) WDR5CNR2CSNK2A2CSNK2A1CNR1
SCHEMBL21485570 0.85 CSNK2A2 (0.51) WDR5CNR2CSNK2A2CSNK2A1CNR1
SCHEMBL21458143 0.84 PTGER4 (0.36) WDR5CNR2CSNK2A2CSNK2A1CNR1

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-3781550-B1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS INC (US) 2024-10-30 — — EP claimed
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