SCHEMBL11080274

SCHEMBL11080274

c1cncc(Cc2ccc3nc[nH]c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 6/20 0.58
QPCTL Q9NXS2 1/20 0.58
HRH4 Q9H3N8 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
NAMPT P43490 2/20 0.48
PDE10A Q9Y233 1/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PRKCI P41743 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
RAD52 P43351 1/20 0.41
TBXAS1 P24557 1/20 0.41

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
SCHEMBL11080273 0.88 HRH4 (0.49) QPCTQPCTLHRH4HRH3NAMPT
SCHEMBL28195435 0.78 QPCTL (0.55) QPCTQPCTLNAMPTPDE10APRKCI
SCHEMBL12634011 0.75 ALDH1A1 (0.54) QPCTQPCTLNAMPTTP53KDM4E
SCHEMBL6962245 0.74 QPCT (1.00) QPCTQPCTLNAMPTCYP11B1CYP11B2
SCHEMBL727185 0.73 CYP1A2 (0.62) HRH4HRH3CYP11B1CYP11B2TBXAS1
SCHEMBL10918554 0.72 RAD52 (0.51) MEN1TP53CYP3A4BLMKMT2A
SCHEMBL12634004 0.72 CDK1 (0.45) QPCTQPCTLMEN1TP53KMT2A
SCHEMBL28253335 0.72 FGFR1 (0.57) HRH4HRH3CYP11B1CYP11B2MEN1
SCHEMBL10919295 0.71 TBXAS1 (0.43) MEN1TP53CYP3A4BLMKMT2A
SCHEMBL14257669 0.71 CYP1A2 (0.56) HRH4HRH3CYP11B1CYP11B2TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104727-A1 Pyridinyl-substituted benzimidazoles and quinoxalines THE UPJOHN COMPANY (US) 1984-04-04 EP disclosed
US-4430502-A Pyridinyl substituted benzimidazoles and quinoxalines THE UPJOHN COMPANY (US) 1984-02-07 US disclosed