SCHEMBL4907061

SCHEMBL4907061

COc1ccc(-n2ccc3cc(C(C)(C)C)nc(N4CCCCC4)c3c2=O)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
HIF1A Q16665 2/20 0.37

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
SCHEMBL4749987 0.84 EGFR (0.42) EGFRMEN1KMT2AMAPTGAA
SCHEMBL5820228 0.83 KCNH2 (0.39) EGFRMEN1KMT2AMAPTALDH1A1
SCHEMBL5820088 0.77 SYK (0.39) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL5819969 0.74 DRD2 (0.37) MEN1KMT2AMAPTTHRBALDH1A1
SCHEMBL5818904 0.70 ALDH1A1 (0.37) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5814327 0.68 JAK2 (0.43) MEN1KMT2AL3MBTL1
SCHEMBL4747371 0.67 NPC1 (0.34) EGFRMEN1KMT2AMAPTALDH1A1
SCHEMBL28860292 0.67 ALDH1A1 (0.63) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL4750651 0.65 ALDH1A1 (0.43) EGFRMEN1KMT2AMAPTGAA
SCHEMBL7303075 0.65 ALDH1A1 (0.65) MEN1KMT2AMAPTALDH1A1KDM4E

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