SCHEMBL10430692

SCHEMBL10430692

Nc1nc(-c2ccccc2)c(Br)c2ncnn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ SRC P12931 3/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ EGLN2 Q96KS0 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ ADORA2A P29274 5/20 0.36
▸ PI4KA P42356 2/20 0.36
▸ PI4K2B Q8TCG2 2/20 0.36

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
SCHEMBL11146247 0.83 KDM4E (0.42) XDHSRCEGFRKDM4EALDH1A1
SCHEMBL21731040 0.83 SRC (0.38) SRCCHEK1CCNA2CDK2CCNA1
SCHEMBL9381563 0.81 ADORA2A (0.35) SRCCHEK1CCNA2CDK2CCNA1
SCHEMBL10430710 0.80 KDM5A (0.37) AURKASRCEGFREGLN2KDM4E
SCHEMBL9378832 0.79 ALDH1A1 (0.36) SRCEGFREGLN2KDM4EALDH1A1
SCHEMBL11151560 0.79 KDM5A (0.40) SRCEGFREGLN2KDM4EALDH1A1
SCHEMBL21731050 0.77 ADORA2A (0.64) KDM4EMAPTMAPK1ADORA2AADORA2B
SCHEMBL9378347 0.76 SRC (0.36) SRCEGFRKDM4EALDH1A1SMN1; SMN2
SCHEMBL21731009 0.74 ADORA2A (0.44) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL21731151 0.74 GABRA1 (0.41) SRCCHEK1CCNA2CDK2CCNA1

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-3611174-B1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC (CN) 2022-06-08 — — EP disclosed
EP-3611174-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR Medshine Discovery Inc. (CN) 2020-02-19 — — 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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