SCHEMBL20180158

SCHEMBL20180158

CC1(C)OB(c2cccc(Nc3ccc(-c4ccncc4)cc3C=N)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
LIPG Q9Y5X9 9/20 0.37
LPL P06858 8/20 0.37
PKMYT1 Q99640 1/20 0.35
ALK Q9UM73 1/20 0.34
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
BUB1 O43683 1/20 0.31

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
SCHEMBL20180170 0.91 LIPG (0.36) EGFRLIPGLPLALKPDGFRB
SCHEMBL20180311 0.90 LIPG (0.47) EGFRLIPGLPLALKPDGFRB
SCHEMBL20180231 0.85 LIPG (0.45) EGFRLIPGLPLALKPDGFRB
SCHEMBL20180228 0.81 LIPG (0.38) EGFRLIPGLPLPDGFRBKDR
SCHEMBL20180132 0.81 EGFR (0.42) EGFRLIPGLPLPDGFRBKDR
SCHEMBL20180161 0.79 PTGS1 (0.43) EGFRPKMYT1ALKKDRBUB1
SCHEMBL20180164 0.78 LPL (0.41) EGFRLIPGLPLPDGFRBKDR
SCHEMBL20180148 0.77 LIPG (0.38) EGFRLIPGLPLPKMYT1ALK
SCHEMBL12763669 0.75 LIPG (0.53) EGFRLIPGLPL
SCHEMBL17726116 0.73 LIPG (0.50) EGFRLIPGLPL

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