SCHEMBL22336747

SCHEMBL22336747

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCNF

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.84
AURKA O14965 1/20 0.79
ERBB2 P04626 1/20 0.79
INSR P06213 1/20 0.79
FBP1 P09467 1/20 0.79
PDGFRB P09619 1/20 0.79
FLT4 P35916 1/20 0.79
KDR P35968 1/20 0.79
CLK1 P49759 1/20 0.79
EPHB4 P54760 1/20 0.79
TEK Q02763 1/20 0.79
AURKB Q96GD4 1/20 0.79

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
SCHEMBL22336746 0.92 EGFR (0.94) EGFRAURKAERBB2INSRFBP1
SCHEMBL21350018 0.91 EGFR (0.84) EGFRAURKAERBB2INSRFBP1
SCHEMBL31491085 0.91 EGFR (0.85) EGFRAURKAERBB2INSRFBP1
SCHEMBL14092460 0.91 EGFR (0.92) EGFRAURKAERBB2INSRFBP1
SCHEMBL30207668 0.91 EGFR (0.85) EGFRAURKAERBB2INSRFBP1
SCHEMBL28520911 0.91 EGFR (0.85) EGFRAURKAERBB2INSRFBP1
SCHEMBL14964773 0.91 EGFR (0.85) EGFRAURKAERBB2INSRFBP1
SCHEMBL24413953 0.91 EGFR (0.86) EGFRAURKAERBB2INSRFBP1
SCHEMBL15206691 0.91 EGFR (1.00) EGFRAURKAERBB2INSRFBP1
SCHEMBL15206318 0.91 EGFR (1.00) EGFRAURKAERBB2INSRFBP1

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-2020163598-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 WO disclosed