SCHEMBL20180164

SCHEMBL20180164

CC1(C)OB(c2cccc(Nc3cc4ccccc4cc3C=N)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.41
LIPG Q9Y5X9 4/20 0.41
EGFR P00533 2/20 0.40
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
ALPL P05186 1/20 0.31
MAPT P10636 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL20180132 0.86 EGFR (0.42) LPLLIPGEGFRCA1CA2
SCHEMBL20180349 0.86 EGFR (0.32) LPLLIPGEGFR
SCHEMBL20180311 0.83 LIPG (0.47) LPLLIPGEGFRCA1CA2
SCHEMBL20180539 0.81 EGFR (0.42) LPLLIPGEGFRCA1CA2
SCHEMBL20180182 0.81 EGFR (0.40) LPLLIPGEGFRCA1CA2
SCHEMBL20180231 0.79 LIPG (0.45) LPLLIPGEGFRCA1CA2
SCHEMBL20180158 0.78 EGFR (0.38) LPLLIPGEGFRCA1CA2
SCHEMBL20180228 0.76 LIPG (0.38) LPLLIPGEGFRPDGFRBKDR
SCHEMBL3758531 0.76 LIPG (0.50) LPLLIPGEGFRCA1CA2
SCHEMBL25491284 0.76 EGFR (0.42) LPLLIPGEGFRCA1CA2

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-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed