SCHEMBL296528

SCHEMBL296528

O=C(O)c1cc2cccnc2n1-c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
PDE4B Q07343 17/20 0.46
PDE4D Q08499 3/20 0.44
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL297463 0.86 PDE4B (0.50) ALDH1A1TSHRPDE4BPDE4DTRPV1
SCHEMBL5237997 0.82 ALDH1A1 (0.72) ALDH1A1TSHR
SCHEMBL2543314 0.81 ALDH1A1 (0.43) ALDH1A1TSHRPDE4BPDE4DTRPV1
SCHEMBL34467742 0.80 PDE4B (0.43) ALDH1A1TSHRPDE4BPDE4DTRPV1
SCHEMBL23672389 0.78 PDE4B (0.55) PDE4BPDE4D
SCHEMBL298304 0.77 ALDH1A1 (0.45) ALDH1A1TSHRPDE4BPDE4DKDM4E
SCHEMBL30636796 0.75 PDE4B (0.47) PDE4BPDE4D
SCHEMBL31124568 0.75 HTT (0.48) ALDH1A1TSHRKDM4E
SCHEMBL297279 0.74 MAPT (0.49) ALDH1A1PDE4BPDE4DTRPV1
SCHEMBL9615234 0.74 CDK4 (0.45) ALDH1A1TSHRKDM4E

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
EP-4034108-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS The Global Alliance for TB Drug Development, Inc. (US) 2022-08-03 EP disclosed
CN-114746090-A Azaindole carboxamide compounds for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2022-07-12 CN disclosed
EP-2106401-B1 DERIVATIVES OF PYRROLOPYRIDINE-2-CARBOXAMIDS, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2012-03-14 EP disclosed