SCHEMBL17685237

SCHEMBL17685237

O=C1NC(=O)c2c1ccc(Nc1ccc(F)cc1)c2Nc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.64
SRC P12931 4/20 0.64
PRKD3 O94806 3/20 0.64
PRKCG P05129 3/20 0.64
PRKCB P05771 3/20 0.64
PRKCA P17252 3/20 0.64
PRKCH P24723 3/20 0.64
PRKCI P41743 3/20 0.64
PRKCE Q02156 3/20 0.64
PRKCQ Q04759 3/20 0.64
PRKCZ Q05513 3/20 0.64
PRKCD Q05655 3/20 0.64
PRKD1 Q15139 3/20 0.64
MEN1 O00255 2/20 0.64
MAPT P10636 2/20 0.64
KMT2A Q03164 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
ABL1 P00519 1/20 0.44
ABL2 P42684 1/20 0.44
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL84534 0.84 EGFR (0.62) EGFRSRCPRKD3PRKCGPRKCB
SCHEMBL30557775 0.84 EGFR (0.62) EGFRSRCPRKD3PRKCGPRKCB
SCHEMBL133403 0.81 EGFR (0.64) EGFRSRCPRKD3PRKCGPRKCB
Cgp-53353 SCHEMBL29766901 0.78 EGFR (1.00) EGFRSRCPRKD3PRKCGPRKCB
Cgp-53353 SCHEMBL230492 0.78 EGFR (1.00) EGFRSRCPRKD3PRKCGPRKCB
SCHEMBL28772828 0.76 EGFR (0.51) EGFRSRCPRKD3PRKCGPRKCB
SCHEMBL8834604 0.72 EGFR (0.84) EGFRSRCPRKD3PRKCGPRKCB
SCHEMBL8834511 0.71 TDO2 (0.45) PRKCBBRAFPOLB
SCHEMBL8834677 0.69 EGFR (0.77) EGFRSRCPRKD3PRKCGPRKCB
SCHEMBL8834231 0.69 EGFR (0.77) EGFRSRCPRKD3PRKCGPRKCB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110418851-A The treatment of cancer and diagnostic method GENENTECH INC 2019-11-05 CN disclosed
CN-109196121-A Methods for treatment and diagnosis of cancer 基因泰克公司 2019-01-11 CN disclosed
EP-2592156-B1 Gene expression markers of tumor resistance to HER2 inhibitor treatment GENENTECH INC (US) 2016-04-20 EP disclosed