SCHEMBL4747281

SCHEMBL4747281

COc1ccc(-n2ccc3cc(C)nc(-c4ccc(F)cc4)c3c2=O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
MET P08581 3/20 0.41
TDP2 O95551 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CYP2C9 P11712 1/20 0.39
MCHR1 Q99705 4/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4751131 0.83 KDM4C (0.38) EGFRMAPTRXFP1MEN1ALDH1A1
SCHEMBL4747261 0.83 EGFR (0.46) EGFRMETTDP2GAAMAPT
SCHEMBL4747721 0.75 KDM4C (0.41) MAPTMEN1ALDH1A1CYP1A2GLA
SCHEMBL4747315 0.75 EGFR (0.49) EGFRMETTDP2GAAMAPT
SCHEMBL4788032 0.73 NTRK1 (0.39) GAAMAPTALDH1A1HSD17B10TP53
SCHEMBL5815996 0.72 ALDH1A1 (0.37) MAPTMEN1ALDH1A1CYP1A2GLA
SCHEMBL4750651 0.72 ALDH1A1 (0.43) EGFRGAAMAPTTHRBCYP2C9
SCHEMBL4786704 0.71 AKR1B10 (0.40) MAPTALDH1A1HSD17B10TP53
SCHEMBL4750620 0.69 RAD51 (0.40) EGFRMETMEN1ALDH1A1KMT2A
SCHEMBL4787999 0.67 MAPT (0.39) MAPTTHRBALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008123755-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTAM TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed
WO-2008123755-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTAM TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO disclosed
WO-2006112666-A1 PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2006-10-26 WO disclosed