SCHEMBL7500170

SCHEMBL7500170

O=C(NCCN1CCCC1)c1cccn2c(=O)c3cc(-c4ccncc4)ccc3nc12

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 18/20 0.73
TSHR P16473 2/20 0.63
ALDH1A1 P00352 1/20 0.63
KCNH2 Q12809 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL25970734 0.88 POLR1A (0.77) POLR1ATSHRKCNH2NPSR1HSD17B10
SCHEMBL7506933 0.86 POLR1A (0.76) POLR1ATSHRALDH1A1KCNH2NPSR1
SCHEMBL7496170 0.85 POLR1A (0.71) POLR1AALDH1A1KCNH2NPSR1
SCHEMBL17099668 0.84 POLR1A (1.00) POLR1AKCNH2
SCHEMBL25970713 0.83 POLR1A (1.00) POLR1AKCNH2
SCHEMBL17099655 0.83 POLR1A (1.00) POLR1AKCNH2
SCHEMBL25970717 0.83 POLR1A (1.00) POLR1AKCNH2
SCHEMBL21836087 0.83 POLR1A (0.58) POLR1ATSHRALDH1A1KCNH2HSD17B10
SCHEMBL21836056 0.82 POLR1A (0.57) POLR1ATSHRALDH1A1KCNH2HSD17B10
SCHEMBL25345565 0.81 POLR1A (1.00) POLR1AKCNH2

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-0944628-B1 HETERO-BIARYL-PYRIDOQUINAZOLINONE DERIVATIVES AS ANTI-CANCER AGENTS AMERICAN CYANAMID CO (US) 2002-06-05 EP claimed
US-5908840-A Hetero-biaryl-pyridoquinazolinone derivatives as anti-cancer agents AMERICAN CYANAMID COMPANY (US) 1999-06-01 US claimed
EP-0944628-B1 HETERO-BIARYL-PYRIDOQUINAZOLINONE DERIVATIVES AS ANTI-CANCER AGENTS AMERICAN CYANAMID CO (US) 2002-06-05 EP disclosed
US-5908840-A Hetero-biaryl-pyridoquinazolinone derivatives as anti-cancer agents AMERICAN CYANAMID COMPANY (US) 1999-06-01 US disclosed