SCHEMBL3252385

SCHEMBL3252385

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(-c4cc(S(C)(=O)=O)ccc4N)cc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 1/20 0.36
BRD4 O60885 6/20 0.36
KDM4E B2RXH2 4/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TP53 P04637 2/20 0.30
TYMS P04818 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
JAK2 O60674 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3243041 0.89 WEE1 (0.38) WEE1BRD4KDM4EMAPTMEN1
SCHEMBL3251688 0.86 JAK3 (0.39) WEE1KDM4EMAPTJAK2NPC1
SCHEMBL3250925 0.86 NR1H2 (0.38) WEE1KDM4EMAPTMEN1KMT2A
SCHEMBL3244660 0.86 TYMS (0.37) WEE1KDM4EMAPTMEN1KMT2A
SCHEMBL3250557 0.82 MAPT (0.41) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL3253850 0.82 SCN9A (0.38) WEE1KDM4EMAPTMEN1KMT2A
SCHEMBL3241840 0.81 KDM4E (0.41) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL3241482 0.81 WEE1 (0.39) WEE1BRD4MAPTHSD17B10LMNA
SCHEMBL3249063 0.80 CDK2 (0.39) BRD4KDM4EHSD17B10LMNATYMS
SCHEMBL3255332 0.80 ADORA3 (0.40) WEE1KDM4EMAPTMEN1KMT2A

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