SCHEMBL31409562

SCHEMBL31409562

Cc1cc(Oc2ccc(C(F)(F)F)cc2)cc(-c2cn(CCCCN)c3ccnc(Cl)c23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HASPIN Q8TF76 4/20 0.34
DYRK2 Q92630 2/20 0.34
IGF1R P08069 1/20 0.32
TLR8 Q9NR97 1/20 0.31
CAMK2D Q13557 1/20 0.31
LCK P06239 1/20 0.31
SRC P12931 1/20 0.31
SIK1 P57059 1/20 0.31
SIK2 Q9H0K1 1/20 0.31
SIK3 Q9Y2K2 1/20 0.31
GRM2 Q14416 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL31409572 0.92 SCN9A (0.33) BRD4MAPK14LCKSRCGRM2
SCHEMBL31409612 0.87 NOS1 (0.31) GRM2NOS1
SCHEMBL31409614 0.87 NOS1 (0.31) GRM2NOS1
SCHEMBL31409586 0.87 NOS1 (0.31) NOS1
SCHEMBL31409647 0.82 DGAT1 (0.37) BRD4MAPK14
SCHEMBL31409705 0.72 DYRK1A (0.36) BRD4LMNAMAPTHTT
SCHEMBL14115603 0.70 IGF1R (0.64) MAOBIGF1RCAMK2DLCKSRC
SCHEMBL31617596 0.68 IDH1 (0.34) BRD4KDM4EMAPTHTT
SCHEMBL31617590 0.66 NPBWR1 (0.33) BRD4MAPTSMN1; SMN2
SCHEMBL31617466 0.66 SCN8A (0.37) BRD4MAPT

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