SCHEMBL31417602

SCHEMBL31417602

O=C(CC1CN(c2cc(F)c(Br)c3ccoc23)C1)Nc1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 5/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDR P35968 3/20 0.36
▸ BRAF P15056 1/20 0.35
▸ RIPK1 Q13546 6/20 0.35
▸ RIPK3 Q9Y572 2/20 0.35
▸ EPHX2 P34913 2/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ LCLAT1 Q6UWP7 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 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
SCHEMBL31417628 0.79 RIPK1 (0.34) FFAR4KDRRIPK1RIPK3
SCHEMBL26090529 0.72 KDR (0.43) FFAR4KDRBRAFRIPK1RIPK3
SCHEMBL26087416 0.72 LIPE (0.43) FFAR4USP30KDRBRAFRIPK1
SCHEMBL31417588 0.69 CRBN (0.37) FFAR4USP30MAPTKDRBRAF
SCHEMBL31417736 0.68 NLRP3 (0.39) USP30EPHX2
SCHEMBL31417583 0.68 KDR (0.36) KDRBRAFLCLAT1ALDH1A1POLB
SCHEMBL26089555 0.68 CRBN (0.42) FFAR4KDRBRAFRIPK1RIPK3
SCHEMBL29041928 0.67 WDR5 (0.42) MAPTKDRRIPK1RIPK3ALDH1A1
SCHEMBL31417738 0.65 KDR (0.33) KDRBRAFLCLAT1
SCHEMBL31417741 0.63 EPHX2 (0.47) FFAR4MAPTKDRBRAFEPHX2

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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