SCHEMBL3249476

SCHEMBL3249476

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(-c4cccc(N)c4)cc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.37
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
CSF1R P07333 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
SCN9A Q15858 1/20 0.36
CLEC4M Q9H2X3 1/20 0.35
TYMS P04818 1/20 0.35
PDE10A Q9Y233 1/20 0.35
HPGD P15428 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3253850 0.91 SCN9A (0.38) ICMTCHEK1WEE1CSF1RSMN1; SMN2
SCHEMBL3252380 0.90 CSF1R (0.43) CHEK1WEE1CSF1RSMN1; SMN2NPC1
SCHEMBL3252050 0.90 GAA (0.40) ICMTCHEK1WEE1CSF1RNPC1
SCHEMBL3255332 0.89 ADORA3 (0.40) CHEK1WEE1CSF1RSMN1; SMN2NPC1
SCHEMBL3255505 0.88 CHEK1 (0.39) ICMTCHEK1WEE1CSF1RSMN1; SMN2
SCHEMBL3252205 0.86 TTK (0.42) CHEK1SMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL3250925 0.86 NR1H2 (0.38) ICMTWEE1CSF1RSMN1; SMN2NPC1
SCHEMBL3254793 0.86 HRH2 (0.40) CHEK1WEE1CSF1RNPC1TYMS
SCHEMBL3250516 0.86 TUBB4A (0.36) CSF1RSMN1; SMN2NPC1CLEC4MTYMS
SCHEMBL3244660 0.86 TYMS (0.37) ICMTCHEK1WEE1CSF1RSMN1; SMN2

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