SCHEMBL31409660

SCHEMBL31409660

FC(F)(F)c1ccc(CCc2csc(-c3c[nH]c4ccnc(Cl)c34)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 5/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DAO P14920 1/20 0.35
POLB P06746 1/20 0.35
DYRK1A Q13627 2/20 0.34
QPCT Q16769 1/20 0.34
GSK3B P49841 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL31409661 0.77 QPCT (0.41) HDAC6DYRK1AQPCTGSK3B
SCHEMBL31409641 0.70 S1PR1 (0.35) DYRK1AQPCTGSK3B
SCHEMBL31409724 0.69 HDAC1 (0.55) TP53HDAC1HDAC6LMNAMAPT
SCHEMBL15084530 0.69 CDK5 (0.41) DYRK1AGSK3B
SCHEMBL31409637 0.66 NOS1 (0.64) TP53HDAC1HDAC6LMNAMAPT
SCHEMBL6343767 0.65 LMNA (0.55) TP53LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL22502476 0.64 KMO (0.34) DYRK1AGSK3B
SCHEMBL29378128 0.64 KMO (0.34) DYRK1AGSK3B
SCHEMBL31409705 0.63 DYRK1A (0.36) LMNAMAPTPOLBDYRK1AGSK3B
SCHEMBL27720173 0.63 LMNA (0.56) TP53LMNAMAPTKDM4ESMN1; SMN2

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