SCHEMBL11070935

SCHEMBL11070935

CCSCCc1c(-c2ccccc2)nc(N)n2ncnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.35
▸ ADORA3 P0DMS8 5/20 0.35
▸ ADORA2B P29275 5/20 0.35
▸ ADORA1 P30542 5/20 0.35
▸ KDM5B Q9UGL1 1/20 0.34
▸ SRC P12931 3/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ FYN P06241 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TNNI3 P19429 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ TNNT2 P45379 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ TNNC1 P63316 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL9381563 0.81 ADORA2A (0.35) ADORA2AADORA3ADORA2BADORA1SRC
SCHEMBL9378832 0.81 ALDH1A1 (0.36) ADORA2AADORA3ADORA2BADORA1SRC
Bemitradine SCHEMBL121173 0.81 KDM4E (0.36) ADORA2AADORA3ADORA2BADORA1SRC
SCHEMBL11151560 0.76 KDM5A (0.40) ADORA2AADORA3ADORA2BADORA1SRC
SCHEMBL11060121 0.76 RAD52 (0.39) ADORA2AKDM4EMAPTFYNMEN1
SCHEMBL11146247 0.75 KDM4E (0.42) ADORA2AADORA3ADORA2BADORA1SRC
SCHEMBL11064822 0.74 MAPT (0.41) ADORA2ASRCABL1KDM4EMAPT
SCHEMBL10430692 0.74 XDH (0.42) ADORA2AADORA3ADORA2BADORA1SRC
SCHEMBL21731040 0.72 SRC (0.38) ADORA2AADORA3ADORA2BADORA1SRC
SCHEMBL10430710 0.72 KDM5A (0.37) ADORA2AADORA3ADORA2BADORA1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129247-A1 8-Substituted 7-phenyl-1,2,4-triazolo [2,3-c] pyrimidines-5-amines and amides G.D. Searle & Co. (US) 1984-12-27 — — EP claimed
US-4483987-A 8-Substituted 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1984-11-20 — — US claimed
EP-0129247-A1 8-Substituted 7-phenyl-1,2,4-triazolo [2,3-c] pyrimidines-5-amines and amides G.D. Searle & Co. (US) 1984-12-27 — — EP disclosed
US-4483987-A 8-Substituted 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1984-11-20 — — US disclosed
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