SCHEMBL31409641

SCHEMBL31409641

FC(F)(F)c1ccc(Oc2nnc(-c3c[nH]c4ccnc(Cl)c34)s2)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
DYRK1A Q13627 2/20 0.32
GSK3B P49841 1/20 0.32
KCNH2 Q12809 1/20 0.31
SCN9A Q15858 1/20 0.31
QPCT Q16769 1/20 0.31
CLK1 P49759 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL31409661 0.80 QPCT (0.41) S1PR1DYRK1AGSK3BQPCTCLK1
SCHEMBL31409705 0.74 DYRK1A (0.36) DYRK1AGSK3BKCNH2SCN9ACLK1
SCHEMBL31409660 0.70 TP53 (0.38) DYRK1AGSK3BQPCT
SCHEMBL15084530 0.69 CDK5 (0.41) DYRK1AGSK3BCLK1CDK5CDK5R1
SCHEMBL3192003 0.66 LTA4H (0.41) DYRK1A
SCHEMBL22686159 0.65 KCNH2 (0.42) KCNH2SCN9A
SCHEMBL22502476 0.64 KMO (0.34) DYRK1AGSK3BCLK1CDK5CDK5R1
SCHEMBL29378128 0.64 KMO (0.34) DYRK1AGSK3BCLK1CDK5CDK5R1
SCHEMBL31409587 0.64 SLC6A4 (0.38) DYRK1AGSK3BKCNH2SCN9ACDK5
SCHEMBL29331748 0.64 KCNH2 (0.41) KCNH2SCN9A

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