SCHEMBL6004865

SCHEMBL6004865

Oc1cc2cccnc2nc1-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
EGFR P00533 1/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
CYP2A6 P11509 5/20 0.46
CYP11B1 P15538 3/20 0.44
CYP19A1 P11511 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP17A1 P05093 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
RAD51 Q06609 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
ERN1 O75460 1/20 0.40

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
SCHEMBL1692394 0.85 DHODH (0.44) L3MBTL1KDM4ENPC1RAB9AALDH1A1
SCHEMBL6004768 0.84 KDM4E (0.51) L3MBTL1KDM4ENPC1RAB9AEGFR
SCHEMBL3892242 0.78 COMT (0.43) L3MBTL1KDM4EALDH1A1
SCHEMBL6004845 0.78 MAPK14 (0.52) KDM4ENPC1RAB9AALDH1A1DAO
SCHEMBL6004302 0.78 KDM4E (0.43) L3MBTL1KDM4ENPC1RAB9AALDH1A1
SCHEMBL6004749 0.78 CYP1A2 (0.41) L3MBTL1KDM4ENPC1RAB9AALDH1A1
SCHEMBL6002944 0.77 AURKA (0.53) KDM4ECYP19A1ALDH1A1ABCG2
SCHEMBL6005315 0.76 EGFR (0.51) L3MBTL1KDM4ENPC1RAB9AEGFR
SCHEMBL6004176 0.75 SLC22A12 (0.41) CYP11B1CYP11B2CYP17A1ABCG2
SCHEMBL30216796 0.74 CYP2A6 (0.61) L3MBTL1KDM4ENPC1RAB9AEGFR

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-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed