SCHEMBL30377589

SCHEMBL30377589

COc1ccc(CNc2cc(Nc3cccc(C)n3)nc3c(C(=O)O)cnn23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ASPH Q12797 2/20 0.43
▸ KDM8 Q8N371 2/20 0.43
▸ RIOX2 Q8IUF8 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CD38 P28907 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ PDE2A O00408 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41

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
SCHEMBL30349474 0.85 TYK2 (0.50) POLBADORA3ADORA2AADORA1MEN1
SCHEMBL30377819 0.83 TYK2 (0.62) POLB
SCHEMBL22092692 0.82 POLB (0.44) POLBADORA3ADORA2AADORA1KDM4E
SCHEMBL30378401 0.80 TYK2 (0.53) POLBADORA3ADORA2AADORA1KDM4E
SCHEMBL30349340 0.78 ADORA3 (0.48) POLBADORA3ADORA2AADORA1MEN1
SCHEMBL24987471 0.75 POLB (0.46) POLBKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL22092637 0.75 KDM4E (0.41) POLBADORA3ADORA2AADORA1KDM4E
SCHEMBL30378065 0.73 TYK2 (0.50) POLBADORA3ADORA2AADORA1KDM4E
SCHEMBL30349310 0.73 CCNA2 (0.54) POLBADORA3ADORA2AADORA1KDM4E
SCHEMBL22103738 0.73 TYK2 (0.58) —

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-113166163-B 7- (methylamino) pyrazolo [1,5-A ] pyrimidine-3-carboxamide derivatives 伊莱利利公司 2023-04-07 — — CN disclosed
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