SCHEMBL3249647

SCHEMBL3249647

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(-c4ccc(C#N)cc4)cc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
NPC1 O15118 1/20 0.36
CSF1R P07333 2/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PADI4 Q9UM07 1/20 0.35
FASN P49327 1/20 0.34
SCN9A Q15858 2/20 0.34
ALK Q9UM73 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3254793 0.92 HRH2 (0.40) CHEK1WEE1NPC1CSF1RKIT
SCHEMBL3252380 0.88 CSF1R (0.43) CHEK1WEE1NPC1CSF1RSCN9A
SCHEMBL3253850 0.87 SCN9A (0.38) CHEK1WEE1NPC1CSF1RSCN9A
SCHEMBL3249865 0.87 KDM4E (0.40) CHEK1WEE1NPC1SCN9AALDH1A1
SCHEMBL3243041 0.85 WEE1 (0.38) WEE1NPC1CSF1RSCN9AALDH1A1
SCHEMBL3249012 0.85 NPC1 (0.46) NPC1CSF1RKITFLT3ALDH1A1
SCHEMBL3244745 0.84 GABRA1 (0.36) CSF1RALDH1A1HPGDMEN1TP53
SCHEMBL3244562 0.84 CCNC (0.38) NPC1ALDH1A1HPGDMEN1TP53
SCHEMBL3252050 0.84 GAA (0.40) CHEK1WEE1NPC1CSF1RALDH1A1
SCHEMBL3249476 0.83 ICMT (0.37) CHEK1WEE1NPC1CSF1RSCN9A

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
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed