SCHEMBL2669701

SCHEMBL2669701

Bc1c(OC)ccc2[nH]ncc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
IDO1 P14902 1/20 0.43
AXL P30530 2/20 0.40
METAP2 P50579 2/20 0.39
RET P07949 1/20 0.39
KIF5B P33176 1/20 0.39
RAF1 P04049 2/20 0.38
BRAF P15056 2/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
NOS1 P29475 3/20 0.38
TLR8 Q9NR97 1/20 0.38
CHUK O15111 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
CSNK2A2 P19784 1/20 0.38

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
SCHEMBL3537413 0.80 BRD4 (0.48) BRD4IDO1AXLMETAP2RET
SCHEMBL1963674 0.79 CSNK2A1 (0.48) BRD4IDO1AXLMETAP2RET
SCHEMBL30861139 0.79 CSNK2A1 (0.48) BRD4IDO1AXLMETAP2RET
SCHEMBL1965644 0.79 BRD4 (0.47) BRD4IDO1AXLMETAP2RET
SCHEMBL25799617 0.79 BRD4 (0.47) BRD4IDO1AXLMETAP2RET
SCHEMBL31411430 0.79 BRD4 (0.47) BRD4IDO1AXLMETAP2RET
SCHEMBL23979717 0.76 BRD4 (0.44) BRD4IDO1AXLMETAP2RET
SCHEMBL17030771 0.76 BRD4 (0.44) BRD4IDO1AXLMETAP2RET
SCHEMBL19304040 0.76 BRD4 (0.44) BRD4IDO1AXLMETAP2RET
SCHEMBL16647168 0.76 IDO1 (0.47) IDO1AXLMETAP2NOS1

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
WO-2009128481-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-22 WO disclosed