SCHEMBL30952976

SCHEMBL30952976

CC1CCC([C@H](NC(=O)c2ccnn2C)C(=O)Nc2cc(CN3C[C@@H](C(F)(F)F)NC3=O)ccn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IL17A Q16552 3/20 0.36
▸ MMP13 P45452 1/20 0.32
▸ CDK2 P24941 2/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ F11 P03951 1/20 0.31
▸ MBOAT4 Q96T53 1/20 0.30
▸ NR3C2 P08235 1/20 0.30
▸ MAPK13 O15264 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30
▸ BUB1 O43683 1/20 0.30
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ PKM P14618 1/20 0.30
▸ MGAT2 Q10469 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
SCHEMBL30953086 0.93 IL17A (0.33) IL17AMMP13CDK2CCNE1GSK3B
SCHEMBL30952938 0.92 IL17A (0.45) IL17ACDK2CCNE1GSK3BF11
SCHEMBL30953104 0.92 IL17A (0.38) IL17AMMP13NR3C2MAPK14
SCHEMBL30953095 0.90 IL17A (0.34) IL17ACDK2CCNE1
SCHEMBL30952940 0.88 IL17A (0.39) IL17ACDK2CCNE1GSK3BF11
SCHEMBL30953015 0.88 IL17A (0.35) IL17ACDK2CCNE1GSK3BNPC1
SCHEMBL30952990 0.86 IL17A (0.35) IL17AMMP13CDK2CCNE1GSK3B
SCHEMBL30953107 0.85 IL17A (0.49) IL17AMMP13
SCHEMBL30952956 0.85 AAK1 (0.40) IL17ANR3C2
SCHEMBL30953157 0.85 IL17A (0.39) IL17AMMP13NR3C2MAPK14

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630115-A1 THERAPEUTIC COMPOUNDS Sanofi (FR) 2025-10-15 — — EP claimed
WO-2024121427-A1 THERAPEUTIC COMPOUNDS SANOFI (FR) 2024-06-13 — — WO claimed
EP-4630115-A1 THERAPEUTIC COMPOUNDS Sanofi (FR) 2025-10-15 — — EP disclosed
WO-2024121427-A1 THERAPEUTIC COMPOUNDS SANOFI (FR) 2024-06-13 — — WO disclosed
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