SCHEMBL27315298

SCHEMBL27315298

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCON1CCC(N(C)C)CC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.68
KDR P35968 2/20 0.64
AURKA O14965 1/20 0.64
ERBB2 P04626 1/20 0.64
INSR P06213 1/20 0.64
FBP1 P09467 1/20 0.64
PDGFRB P09619 1/20 0.64
FLT4 P35916 1/20 0.64
CLK1 P49759 1/20 0.64
EPHB4 P54760 1/20 0.64
TEK Q02763 1/20 0.64
AURKB Q96GD4 1/20 0.64

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
SCHEMBL27315319 0.88 EGFR (0.81) EGFRKDRAURKAERBB2INSR
SCHEMBL27315311 0.87 EGFR (0.80) EGFRKDRAURKAERBB2INSR
SCHEMBL27315318 0.85 ERBB2 (0.79) EGFRKDRERBB2EPHB4
SCHEMBL10037581 0.83 EGFR (0.77) EGFRKDRAURKAERBB2INSR
SCHEMBL208863 0.83 EGFR (0.77) EGFRKDRAURKAERBB2INSR
SCHEMBL29623592 0.83 EGFR (0.77) EGFRKDRAURKAERBB2INSR
SCHEMBL117984 0.83 EGFR (0.77) EGFRKDRAURKAERBB2INSR
SCHEMBL5412843 0.82 EGFR (0.84) EGFRKDRAURKAERBB2INSR
SCHEMBL28907231 0.82 EGFR (0.84) EGFRKDRAURKAERBB2INSR
SCHEMBL11113 0.81 EGFR (1.00) EGFRKDRAURKAERBB2INSR

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-2024059668-A2 HYDROXYLAMINE-BASED EGFR INHIBITORS FOR TREATMENT OF CANCER WITH BRAIN METASTASES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2024-03-21 WO disclosed