SCHEMBL22309754

SCHEMBL22309754

CCc1cccc(-c2ncc(OCC3CCN(C)CC3)cn2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.58
▸ NQO2 P16083 1/20 0.58
▸ CXCR1 P25024 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.45
▸ KIT P10721 1/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL12547598 0.90 MET (0.57) METNQO2CXCR1HRH3KIT
SCHEMBL1296276 0.90 MET (0.57) METNQO2CXCR1HRH3KIT
SCHEMBL31495087 0.90 MET (0.57) METNQO2CXCR1HRH3KIT
SCHEMBL24081472 0.86 MET (0.47) METNQO2ACHEGPR119KDM4E
SCHEMBL13449240 0.86 MET (0.53) METNQO2CXCR1HRH3ACHE
SCHEMBL31495102 0.86 MET (0.53) METNQO2CXCR1HRH3ACHE
SCHEMBL22310321 0.85 EP300 (0.53) METNQO2AKT1MAOB
SCHEMBL2223511 0.85 MET (0.52) METNQO2CXCR1HRH3
SCHEMBL21322203 0.84 MET (0.53) METNQO2CXCR1HRH3KIT
SCHEMBL14771954 0.82 KDM4E (0.55) CXCR1KITMAOAMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3919492-A1 PYRIMIDINYL GROUP-CONTAINING TRICYCLIC COMPOUND SERVING AS C-MET INHIBITOR Medshine Discovery Inc. (CN) 2021-12-08 — — EP disclosed
WO-2020156453-A1 PYRIMIDINYL GROUP-CONTAINING TRICYCLIC COMPOUND SERVING AS C-MET INHIBITOR 南京明德新药研发有限公司 2020-08-06 — — WO disclosed
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