SCHEMBL30513239

SCHEMBL30513239

Nc1nccc(-c2ccncc2)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ GFER P55789 1/20 0.50
▸ CCNC P24863 2/20 0.41
▸ CDK8 P49336 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ ADORA2A P29274 2/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ FYN P06241 1/20 0.37
▸ PIK3CA P42336 2/20 0.37
▸ CHEK2 O96017 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL31301310 0.79 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9AGFER
SCHEMBL5973721 0.79 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9AGFER
Iodide SCHEMBL31385461 0.78 MAPT (0.46) MAPTSMN1; SMN2NPC1RAB9AGFER
SCHEMBL6990668 0.73 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9AGFER
SCHEMBL1253847 0.72 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9AGFER
SCHEMBL20997818 0.72 MAPT (0.48) MAPTSMN1; SMN2NPC1RAB9AGFER
SCHEMBL11127668 0.71 MAP4K4 (0.58) MAPTSMN1; SMN2NPC1RAB9AGFER
SCHEMBL29442167 0.71 MAP4K4 (0.58) MAPTSMN1; SMN2NPC1RAB9AGFER
SCHEMBL14917440 0.71 CHEK2 (0.49) CCNCCDK8KDRCHEK2ALDH1A1
SCHEMBL28803622 0.71 KDR (0.79) MAPTSMN1; SMN2NPC1RAB9AGFER

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-111592534-B New compounds 特殊治疗有限公司 2023-06-30 — — CN disclosed
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