SCHEMBL3244562

SCHEMBL3244562

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(-c4ccc5[nH]ccc5c4)cc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
NPC1 O15118 3/20 0.37
ENPP2 Q13822 1/20 0.37
CASP3 P42574 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HCRTR1 O43613 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
PTGS2 P35354 1/20 0.36
MAOA P21397 2/20 0.36
METAP2 P50579 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
MAP3K11 Q16584 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL3252380 0.87 CSF1R (0.43) NPC1MEN1KMT2AHCRTR1RAB9A
SCHEMBL3253850 0.86 SCN9A (0.38) NPC1MEN1KMT2ARAB9AJAK2
SCHEMBL3249865 0.85 KDM4E (0.40) NPC1MEN1KMT2ARAB9AMMP2
SCHEMBL3250692 0.85 HPGD (0.34) NPC1MEN1KMT2AALDH1A1TP53
SCHEMBL3252050 0.85 GAA (0.40) NPC1MEN1KMT2AJAK2JAK3
SCHEMBL3247669 0.84 JAK2 (0.48) CCNCCDK8NPC1MEN1KMT2A
SCHEMBL3249647 0.84 CHEK1 (0.37) NPC1MEN1KMT2AALDH1A1TP53
SCHEMBL3249476 0.84 ICMT (0.37) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL3243041 0.84 WEE1 (0.38) NPC1MEN1KMT2APTGS2JAK2
SCHEMBL3255505 0.83 CHEK1 (0.39) NPC1MEN1KMT2AALDH1A1HPGD

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