SCHEMBL9378347

SCHEMBL9378347

Nc1nc(-c2ccccc2)c(C(O)CO)c2ncnn12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.36
▸ EGFR P00533 3/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ ABL2 P42684 2/20 0.34
▸ EGLN1 Q9GZT9 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TNK2 Q07912 2/20 0.33
▸ FYN P06241 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RECQL P46063 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32

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
SCHEMBL9378832 0.78 ALDH1A1 (0.36) SRCEGFRABL1EGLN1KDM4E
SCHEMBL10430692 0.76 XDH (0.42) SRCEGFRABL1KDM4EALDH1A1
SCHEMBL11146247 0.74 KDM4E (0.42) SRCEGFRABL1KDM4EALDH1A1
SCHEMBL21731040 0.74 SRC (0.38) SRCEGFRABL1KDM4EALDH1A1
SCHEMBL10430710 0.74 KDM5A (0.37) SRCEGFRABL1KDM4EALDH1A1
SCHEMBL11151560 0.73 KDM5A (0.40) SRCEGFRABL1KDM4EALDH1A1
SCHEMBL9381563 0.73 ADORA2A (0.35) SRCEGFRABL1KDM4EALDH1A1
SCHEMBL21731050 0.69 ADORA2A (0.64) KDM4EMEN1KMT2AADORA2AADORA1
SCHEMBL21731009 0.69 ADORA2A (0.44) MEN1KMT2AADORA2AADORA1
SCHEMBL11060121 0.68 RAD52 (0.39) KDM4EALDH1A1FYNMEN1NPC1

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
EP-0374914-B1 Diol metabolites of 7-phenyl-1,2,4-triazolo[1,5-c]-pyrimidines-5-amines SEARLE & CO (US) 1994-04-20 — — EP claimed
EP-0374914-A1 Diol metabolites of 7-phenyl-1,2,4-triazolo[1,5-c]-pyrimidines-5-amines G.D. Searle & Co. (US) 1990-06-27 — — EP claimed
US-4866063-A Diol metabolites of 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines G. D. SEARLE & CO. (US) 1989-09-12 — — US claimed
EP-0374914-B1 Diol metabolites of 7-phenyl-1,2,4-triazolo[1,5-c]-pyrimidines-5-amines SEARLE & CO (US) 1994-04-20 — — EP disclosed
EP-0374914-A1 Diol metabolites of 7-phenyl-1,2,4-triazolo[1,5-c]-pyrimidines-5-amines G.D. Searle & Co. (US) 1990-06-27 — — EP disclosed
US-4866063-A Diol metabolites of 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines G. D. SEARLE & CO. (US) 1989-09-12 — — US disclosed
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