SCHEMBL4747261

SCHEMBL4747261

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
SLC10A2 Q12908 1/20 0.43
MCHR1 Q99705 2/20 0.42
MET P08581 2/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
HTR7 P34969 1/20 0.40
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP2 O95551 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4747315 0.90 EGFR (0.49) EGFRMCHR1METMAPTGAA
SCHEMBL4750651 0.89 ALDH1A1 (0.43) EGFRMCHR1MAPTGAATHRB
SCHEMBL4750620 0.88 RAD51 (0.40) EGFRMETRAB9AMEN1KMT2A
SCHEMBL4750005 0.83 RAD51 (0.39) EGFRMAPTKDM4ERAB9ARXFP1
SCHEMBL4747281 0.83 EGFR (0.46) EGFRMCHR1METMAPTGAA
SCHEMBL5816238 0.82 ALDH1A1 (0.40) MAPTGAATHRBKDM4EMAPK1
SCHEMBL4750212 0.81 PSD (0.42) EGFRMAPTRAB9AMEN1KMT2A
SCHEMBL4750210 0.80 EGFR (0.39) EGFRMETRAB9AMAPK1RXFP1
SCHEMBL4747830 0.75 RAD51 (0.42) MAPTKDM4ERAB9AMAPK1NPC1
SCHEMBL4747889 0.75 ALDH1A1 (0.40) EGFRMAPTGAATHRBKDM4E

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 2 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-2006112666-A1 PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2006-10-26 WO disclosed