SCHEMBL3243041

SCHEMBL3243041

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
SCN9A Q15858 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
BRD4 O60885 1/20 0.34
JAK2 O60674 1/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 1/20 0.33
CSF1R P07333 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
SCHEMBL3250925 0.92 NR1H2 (0.38) WEE1KDM4EMAPTMEN1KMT2A
SCHEMBL3252385 0.89 WEE1 (0.36) WEE1KDM4EMAPTMEN1KMT2A
SCHEMBL3252380 0.88 CSF1R (0.43) WEE1KDM4EMAPTMEN1KMT2A
SCHEMBL3253850 0.87 SCN9A (0.38) WEE1KDM4EMAPTMEN1KMT2A
SCHEMBL3249865 0.87 KDM4E (0.40) WEE1KDM4EMAPTMEN1KMT2A
SCHEMBL3241840 0.86 KDM4E (0.41) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL3247431 0.86 MAPT (0.48) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL3250557 0.85 MAPT (0.41) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL3249647 0.85 CHEK1 (0.37) WEE1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL3250736 0.85 CAMKK2 (0.36) WEE1KDM4EMAPTHSD17B10ALDH1A1

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