SCHEMBL31409720

SCHEMBL31409720

Cc1ncc(C#N)c(N)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
KDR P35968 2/20 0.40
ABL1 P00519 1/20 0.40
CSNK1A1 P48729 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MBOAT4 Q96T53 5/20 0.35
HTT P42858 3/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL18299745 0.80 TSHR (0.35) KDM4EKDRABL1CSNK1A1CLK4
SCHEMBL30971161 0.80 HTT (0.46) KDM4EKDRABL1CSNK1A1CLK4
SCHEMBL5030532 0.78 CSNK1A1 (0.40) KDM4EKDRABL1CSNK1A1CLK4
SCHEMBL29588691 0.78 CSNK1A1 (0.40) KDM4EKDRABL1CSNK1A1CLK4
SCHEMBL1145686 0.77 CSNK1A1 (0.39) KDM4EKDRABL1CSNK1A1CLK4
SCHEMBL22220100 0.77 CSNK1A1 (0.39) KDM4EKDRABL1CSNK1A1CLK4
SCHEMBL11309729 0.74 CSNK1A1 (0.40) KDM4EKDRABL1CSNK1A1CLK4
SCHEMBL20489454 0.74 HTT (0.44) KDM4EKDRABL1CSNK1A1CLK4
SCHEMBL5482012 0.74 KDM4E (0.58) KDM4EKDRNPSR1ALDH1A1KMT2A
SCHEMBL20698729 0.73 LMNA (0.34) KDM4ENPSR1KMT2AHTTLMNA

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-2025026997-A1 SUBSTITUED BICYCLIC HETEROCYCLIC YAP-TEAD AND/OR TAZ-TEAD INHIBITORS MERCK PATENT GMBH (DE) 2025-02-06 WO disclosed