SCHEMBL31417628

SCHEMBL31417628

O=C(CC1CN(c2cc(F)c(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)c3ccoc23)C1)Nc1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 9/20 0.34
▸ RIPK3 Q9Y572 2/20 0.34
▸ GYS1 P13807 5/20 0.33
▸ FFAR4 Q5NUL3 2/20 0.32
▸ KDR P35968 1/20 0.31

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
SCHEMBL31417602 0.79 FFAR4 (0.37) RIPK1RIPK3FFAR4KDR
SCHEMBL31417807 0.77 RORC (0.38) GYS1
SCHEMBL31417786 0.76 TRPV1 (0.33) RIPK1RIPK3GYS1KDR
SCHEMBL31417593 0.74 PKM (0.36) GYS1
SCHEMBL31417543 0.72 GYS1 (0.33) GYS1
SCHEMBL31417730 0.68 GRM5 (0.38) RIPK1RIPK3GYS1KDR
SCHEMBL24801556 0.66 S1PR5 (0.37) —
SCHEMBL26171399 0.66 S1PR5 (0.46) —
SCHEMBL24207600 0.66 FFAR4 (0.45) FFAR4
SCHEMBL24802144 0.66 FFAR4 (0.41) FFAR4

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-2025016457-A1 NEW SUBSTITUTED HETEROCYCLIC COMPOUND AS GSPTS/MYC SIGNAL FLUX REGULATOR 杭州德睿智药科技有限公司 2025-01-23 — — WO disclosed
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