SCHEMBL3817879

SCHEMBL3817879

NC(=O)c1ccccc1Cc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP3A4 P08684 3/20 0.56
CYP2C19 P33261 3/20 0.56
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
MTNR1A P48039 1/20 0.51
MAPK8 P45983 1/20 0.51
AURKA O14965 1/20 0.51
RPS6KB1 P23443 1/20 0.51
AURKB Q96GD4 1/20 0.51
KDM4E B2RXH2 2/20 0.50
PARP10 Q53GL7 2/20 0.50
CD38 P28907 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL30344504 0.86 MEN1 (0.61) MEN1KMT2ATDP1MTNR1AMAPK8
SCHEMBL7134588 0.85 TSHR (0.54) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL29154501 0.83 CYP3A4 (0.56) MEN1KMT2ACYP3A4CYP2C19CYP1A2
SCHEMBL28746958 0.81 CYP3A4 (0.55) MEN1KMT2ACYP3A4CYP2C19CYP1A2
SCHEMBL1128517 0.80 CYP3A4 (0.54) MEN1KMT2ACYP3A4CYP2C19CYP1A2
SCHEMBL29381201 0.79 KDM4E (0.68) MEN1KMT2ACYP3A4CYP2C19CYP1A2
SCHEMBL43084 0.79 KDM4E (0.68) MEN1KMT2ACYP3A4CYP2C19CYP1A2
SCHEMBL29154497 0.79 CYP3A4 (0.56) MEN1KMT2ACYP3A4CYP2C19CYP1A2
SCHEMBL599659 0.79 CYP2C19 (0.62) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL29490353 0.79 CYP2C19 (0.62) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9

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-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 EP disclosed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 WO disclosed
EP-1089966-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT AstraZeneca AB (SE) 2001-04-11 EP disclosed
WO-1999067205-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 1999-12-29 WO disclosed