SCHEMBL252708

SCHEMBL252708

NC(=O)c1cc2cccnc2nc1Cc1ccc(-c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 13/20 0.48
MKNK2 Q9HBH9 12/20 0.48
PARP1 P09874 1/20 0.46
DHODH Q02127 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
CYP2A6 P11509 1/20 0.43
SYK P43405 1/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
CHEK2 O96017 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 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
SCHEMBL253870 0.81 CYP11B1 (0.52) MKNK2PARP1CYP3A4
SCHEMBL252286 0.78 PARP1 (0.41) PARP1DHODH
SCHEMBL253898 0.77 SYK (0.41) MKNK2PARP1SYKLMNA
SCHEMBL253233 0.75 SYK (0.40) SYK
SCHEMBL255347 0.74 SYK (0.38) PARP1SYK
SCHEMBL253705 0.73 AURKA (0.47) PARP1CYP1A2CYP3A4CYP2C19
SCHEMBL619835 0.73 HTT (0.49) LMNA
SCHEMBL28566904 0.73 LMNA (0.45) LMNACYP3A4
SCHEMBL9375622 0.69 PARP1 (0.46) MKNK2PARP1DHODHSYKLMNA
SCHEMBL9378964 0.69 PARP1 (0.46) MKNK2PARP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP claimed