SCHEMBL6693561

SCHEMBL6693561

COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.82
TP53 P04637 2/20 0.73
MAPT P10636 2/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
MAPK1 P28482 1/20 0.69
CDK1 P06493 2/20 0.68
CDK4 P11802 2/20 0.68
CDK2 P24941 2/20 0.68
CDK7 P50613 2/20 0.68
CDK6 Q00534 2/20 0.68
CDK5 Q00535 2/20 0.68
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
POLB P06746 1/20 0.63
HSP90AA1 P07900 1/20 0.63
HPGD P15428 1/20 0.63
TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL6680316 0.89 AURKA (0.88) AURKATP53MAPTL3MBTL1MEN1
SCHEMBL6692762 0.88 AURKA (1.00) AURKATP53MAPTL3MBTL1MEN1
SCHEMBL22095232 0.84 AURKA (0.90) AURKATP53MAPTMEN1KMT2A
SCHEMBL15452613 0.83 AURKA (0.79) AURKATP53MAPTL3MBTL1MEN1
SCHEMBL22095087 0.81 AURKA (0.84) AURKATP53MAPTMEN1KMT2A
SCHEMBL22095650 0.80 AURKA (1.00) AURKATP53MAPTMEN1KMT2A
SCHEMBL6689634 0.80 MAPK1 (0.63) AURKATP53MAPTL3MBTL1MEN1
SCHEMBL22095269 0.79 AURKA (1.00) AURKATP53MAPTMEN1KMT2A
SCHEMBL22095286 0.78 KDM5B (0.95) AURKATP53MAPTMEN1KMT2A
SCHEMBL6677466 0.78 MAPK1 (0.75) TP53L3MBTL1MAPK1KDM4EALDH1A1

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
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO disclosed