SCHEMBL29896863

SCHEMBL29896863

COCc1nc2cc(Br)c(C(F)(F)F)cc2n1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GRM2 Q14416 5/20 0.36
▸ PTGES O14684 2/20 0.35
▸ TP53 P04637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PPARG P37231 2/20 0.34
▸ CACNA1H O95180 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ ESRRA P11474 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
SCHEMBL12763859 1.00 RAB9A (0.39) RAB9ANPC1MEN1TSHRKMT2A
SCHEMBL23302121 0.85 GRM2 (0.35) RAB9ANPC1MEN1KMT2AGRM2
SCHEMBL12763756 0.82 L3MBTL1 (0.35) RAB9ANPC1GRM2PTGESTP53
SCHEMBL12763755 0.79 GRM2 (0.35) RAB9ANPC1GRM2PTGESTP53
SCHEMBL23302179 0.77 KDM4E (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL27162875 0.75 PTGES (0.39) GRM2PTGESTP53SMN1; SMN2CACNA1H
SCHEMBL30046089 0.75 PTGES (0.39) GRM2PTGESTP53SMN1; SMN2CACNA1H
SCHEMBL30047210 0.74 PTGES (0.40) RAB9AMEN1TSHRKMT2ANPSR1
SCHEMBL27163209 0.74 PTGES (0.40) RAB9AMEN1TSHRKMT2ANPSR1
SCHEMBL23302255 0.74 HDAC11 (0.39) RAB9ANPC1GRM2PTGESTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025092986-A1 POLYCYCLIC COMPOUND, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-05-08 — — WO disclosed
CN-119424423-A 4-Aminobut-2-enamide derivatives and salts thereof 大鹏药品工业株式会社 2025-02-14 — — CN disclosed
EP-4329749-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT Merck Sharp & Dohme LLC (US) 2024-03-06 — — EP disclosed
CN-115551500-A 4-aminobut-2-enamide derivatives and salts thereof 大鹏药品工业株式会社 2022-12-30 — — CN disclosed
WO-2022232318-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-11-03 — — WO disclosed
EP-4051266-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2022-09-07 — — EP disclosed
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