SCHEMBL9381563

SCHEMBL9381563

Nc1nc(-c2ccccc2)c(CCBr)c2ncnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.35
▸ SRC P12931 3/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ADORA1 P30542 5/20 0.34
▸ TNK2 Q07912 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ EGLN2 Q96KS0 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ADORA2B P29275 3/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ DPP4 P27487 1/20 0.33

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 0.86 ALDH1A1 (0.36) ADORA2ASRCEGFRADORA1TNK2
SCHEMBL10430692 0.81 XDH (0.42) ADORA2ASRCCHEK1CCNA2CDK2
Bemitradine SCHEMBL121173 0.81 KDM4E (0.36) ADORA2ASRCADORA1KDM4EALDH1A1
SCHEMBL11070935 0.81 ADORA2A (0.35) ADORA2ASRCEGFRADORA1TNK2
SCHEMBL11151560 0.81 KDM5A (0.40) ADORA2ASRCEGFRADORA1TNK2
SCHEMBL11060121 0.78 RAD52 (0.39) ADORA2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL21731040 0.77 SRC (0.38) ADORA2ASRCCHEK1CCNA2CDK2
SCHEMBL11146247 0.77 KDM4E (0.42) ADORA2ASRCEGFRADORA1KDM4E
SCHEMBL11064822 0.77 MAPT (0.41) ADORA2ASRCTNK2KDM4EALDH1A1
SCHEMBL11071024 0.76 FAAH (0.36) KDM4EMAPTMAPK1LMNA

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 5 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-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-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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