SCHEMBL31495087

SCHEMBL31495087

CN1CCC(COc2cnc(-c3cccc(CBr)c3)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.57
▸ NQO2 P16083 1/20 0.57
▸ CXCR1 P25024 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.44
▸ KIT P10721 1/20 0.41
▸ APAF1 O14727 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ACHE P22303 2/20 0.40
▸ AKT1 P31749 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38

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
SCHEMBL22309754 0.90 MET (0.58) METNQO2CXCR1HRH3KIT
SCHEMBL12547598 0.89 MET (0.57) METNQO2CXCR1HRH3KIT
SCHEMBL1296276 0.89 MET (0.57) METNQO2CXCR1HRH3KIT
SCHEMBL13449240 0.85 MET (0.53) METNQO2CXCR1HRH3ACHE
SCHEMBL31495102 0.85 MET (0.53) METNQO2CXCR1HRH3ACHE
SCHEMBL2223511 0.84 MET (0.52) METNQO2CXCR1HRH3
SCHEMBL21322203 0.83 MET (0.53) METNQO2CXCR1HRH3KIT
SCHEMBL22310712 0.82 SLC2A1 (0.54) METNQO2
SCHEMBL23344107 0.81 MET (0.54) METNQO2CXCR1HRH3L3MBTL1
SCHEMBL26792863 0.80 MET (0.54) METNQO2CXCR1HRH3APAF1

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
CN-119684263-A Synthetic method of terpetinib and key intermediate thereof 苏州莱安医药化学技术有限公司 2025-03-25 — — CN disclosed
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