SCHEMBL11146247

SCHEMBL11146247

Cc1c(-c2ccccc2)nc(N)n2ncnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ ADORA2A P29274 9/20 0.42
▸ ADORA1 P30542 4/20 0.42
▸ ADORA3 P0DMS8 3/20 0.42
▸ ADORA2B P29275 3/20 0.42
▸ PI4KA P42356 2/20 0.41
▸ PI4K2B Q8TCG2 2/20 0.41
▸ PI4K2A Q9BTU6 2/20 0.41
▸ PI4KB Q9UBF8 2/20 0.41
▸ XDH P47989 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39

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
SCHEMBL31694571 0.84 EGLN2 (0.46) ADORA2AADORA1ADORA2BALDH1A1HSD17B10
SCHEMBL10430692 0.83 XDH (0.42) KDM4EMAPTMAPK1ADORA2AADORA1
SCHEMBL21731050 0.82 ADORA2A (0.64) KDM4EMAPTMAPK1ADORA2AADORA1
SCHEMBL21731040 0.82 SRC (0.38) KDM4EMAPTMAPK1ADORA2AADORA1
SCHEMBL10430710 0.78 KDM5A (0.37) KDM4EMAPTMAPK1ADORA2AADORA1
SCHEMBL21731056 0.78 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL11151560 0.77 KDM5A (0.40) KDM4EMAPTMAPK1ADORA2AADORA1
SCHEMBL9381563 0.77 ADORA2A (0.35) KDM4EMAPTMAPK1ADORA2AADORA1
SCHEMBL9378832 0.77 ALDH1A1 (0.36) KDM4EMAPTMAPK1ADORA2AADORA1
SCHEMBL21731093 0.77 ADORA2A (0.67) ADORA2AADORA1ADORA2BMEN1KMT2A

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
US-4405780-A 8-Substituted 7-phenyl-1,2,4,-triazolo[4,3-c]/[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1983-09-20 — — US claimed
US-4405780-A 8-Substituted 7-phenyl-1,2,4,-triazolo[4,3-c]/[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1983-09-20 — — US disclosed
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