SCHEMBL7324860

SCHEMBL7324860

Nc1ncccc1-c1n[nH]c(-c2ccco2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.46
LMNA P02545 1/20 0.46
PDPK1 O15530 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 5/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
KDM4E B2RXH2 4/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 3/20 0.38

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
SCHEMBL9831636 0.82 CDK5 (0.44) ALPLLMNAPDPK1ADORA2AADORA1
SCHEMBL625453 0.77 ALDH1A1 (0.47) LMNAADORA2AADORA1ADORA2BALDH1A1
SCHEMBL7326483 0.77 ALPL (0.42) ALPLLMNAPDPK1ADORA2AADORA1
SCHEMBL10713674 0.74 PDPK1 (0.43) ALPLLMNAPDPK1ADORA2AADORA1
SCHEMBL10715022 0.74 MAPT (0.45) ALPLLMNAPDPK1ADORA2AADORA1
SCHEMBL19716277 0.73 ALPL (0.46) ALPLLMNAPDPK1ADORA2AADORA1
SCHEMBL10713001 0.73 LMNA (0.49) ALPLLMNAALDH1A1HPGDRAB9A
SCHEMBL29722736 0.73 HPGD (0.61) PDPK1ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL26905289 0.73 HPGD (0.61) PDPK1ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL8731561 0.73 PDPK1 (0.54) ALPLLMNAPDPK1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4831013-A BENZODIAZEPINE RECEPTOR ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1989-05-16 US disclosed
WO-1988002370-A1 2-SUBSTITUTED-E-FUSED-[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINES PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CIBA-GEIGY AG (CH) 1988-04-07 WO disclosed
EP-0263071-A1 2-Substituted-e-fused-[1,2,4]-triazolo[1,5-c] pyrimidines, pharmaceutical compositions, and uses thereof CIBA-GEIGY AG (CH) 1988-04-06 EP disclosed