SCHEMBL4757498

SCHEMBL4757498

O=C(O)NCc1ccc(-c2nc3c(N4CCN(CC(=O)Nc5nccs5)CC4)c(Cl)cnc3[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.62
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
AURKB Q96GD4 1/20 0.60
AURKC Q9UQB9 1/20 0.60
FGFR1 P11362 1/20 0.60
FGFR2 P21802 1/20 0.60
FGFR4 P22455 1/20 0.60
FGFR3 P22607 1/20 0.60
KDR P35968 1/20 0.46
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.45
KCNA5 P22460 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL211566 0.90 AURKA (0.66) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL14495789 0.89 AURKA (0.65) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL208518 0.87 AURKA (0.80) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL209571 0.86 AURKA (0.80) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL210791 0.86 AURKA (0.80) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL209764 0.86 AURKA (0.62) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL208782 0.86 AURKA (0.67) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL210962 0.84 FGFR1 (0.68) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL208651 0.84 FGFR1 (0.70) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL209744 0.83 AURKA (0.59) AURKACYP3A4CYP2D6CYP2C9AURKB

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-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed