SCHEMBL28007807

SCHEMBL28007807

O=C(Nc1cccnc1)c1ccncc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.81
LMNA P02545 2/20 0.77
HIF1A Q16665 1/20 0.77
CYP11B1 P15538 4/20 0.73
CYP11B2 P19099 4/20 0.73
RAB9A P51151 5/20 0.71
NPC1 O15118 4/20 0.71
GAA P10253 2/20 0.71
HTT P42858 1/20 0.71
ROCK2 O75116 1/20 0.70
ROCK1 Q13464 1/20 0.70
TRPV1 Q8NER1 1/20 0.68
TP53 P04637 1/20 0.66
RECQL P46063 1/20 0.66

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
SCHEMBL167081 0.89 NAMPT (1.00) NAMPTLMNAHIF1ACYP11B1CYP11B2
Hydrochloric Acid SCHEMBL27890956 0.88 NAMPT (0.97) NAMPTLMNAHIF1ACYP11B1CYP11B2
SCHEMBL1571386 0.87 LMNA (1.00) NAMPTLMNAHIF1ACYP11B1CYP11B2
SCHEMBL3642636 0.86 NAMPT (0.81) NAMPTLMNAHIF1ACYP11B1CYP11B2
SCHEMBL5435462 0.86 NAMPT (0.76) NAMPTLMNAHIF1ACYP11B1CYP11B2
SCHEMBL27927283 0.85 EPHX2 (0.87) NAMPTLMNAHIF1ACYP11B1CYP11B2
SCHEMBL5450085 0.85 NAMPT (0.73) NAMPTLMNAHIF1ACYP11B1CYP11B2
SCHEMBL95793 0.85 NAMPT (0.73) NAMPTLMNAHIF1ACYP11B1CYP11B2
SCHEMBL12078341 0.85 NAMPT (0.77) NAMPTLMNAHIF1ACYP11B1CYP11B2
SCHEMBL30582756 0.85 CYP11B1 (1.00) NAMPTLMNAHIF1ACYP11B1CYP11B2

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
CN-111801322-B Kinase inhibitors for the treatment of central and peripheral nervous system disorders 迈阿密大学 2024-03-15 CN disclosed
CN-104447518-A Synthesis method for flexible dipyridine derivative 6-bromine-2-pyridine methylenepyridine HARBIN INST OF TECHNOLOGY 2015-03-25 CN disclosed