SCHEMBL29834832

SCHEMBL29834832

FNc1ccc(Oc2ccnc(N3CCC(C(F)(F)F)C3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.39
MAPK13 O15264 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ACACB O00763 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
BRAF P15056 3/20 0.35
KDR P35968 3/20 0.35
LRRK2 Q5S007 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL29834705 0.81 MAP4K4 (0.43) MAP4K4ACACBSCN10ALRRK2CCNC
SCHEMBL27096932 0.76 MALT1 (0.45) MAPTKDM4EBRAFKDRCCNC
SCHEMBL27096974 0.74 MAP4K4 (0.41) MAP4K4MAPTKDM4EACACBSCN10A
SCHEMBL30729909 0.74 MAP4K4 (0.41) MAP4K4MAPTKDM4EACACBSCN10A
SCHEMBL16785630 0.73 MAP4K4 (0.46) MAP4K4
SCHEMBL30885063 0.72 MALT1 (0.44) MAPTKDM4EBRAFKDRALDH1A1
SCHEMBL27309672 0.72 MALT1 (0.44) MAPTKDM4EBRAFKDRALDH1A1
SCHEMBL30729928 0.72 MAPK13 (0.38) MAPK13MAPTKDRLRRK2ALDH1A1
SCHEMBL31549832 0.71 MAP4K4 (0.49) MAP4K4CA12CA1CA2CA4
SCHEMBL28170653 0.71 MAP4K4 (0.49) MAP4K4CA12CA1CA2CA4

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-2022170043-A1 QUINAZOLINE DERIVED COMPOUNDS AS EGFR INHIBITORS AND THEIR USES THEREOF ACCUTAR BIOTECHNOLOGY, INC. (US) 2022-08-11 WO disclosed