SCHEMBL30729948

SCHEMBL30729948

[2H]C([2H])(Oc1ccc(N)cc1Cl)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.41
ERBB2 P04626 5/20 0.40
EGFR P00533 4/20 0.40
HRH1 P35367 1/20 0.40
ERBB3 P21860 1/20 0.40
ERBB4 Q15303 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 1/20 0.40
ASIC3 Q9UHC3 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL27097004 1.00 SYK (0.58) SYKL3MBTL1HTTERBB2EGFR
SCHEMBL159323 0.85 SYK (0.78) SYKL3MBTL1ERBB2EGFRERBB3
SCHEMBL29638125 0.85 SYK (0.78) SYKL3MBTL1ERBB2EGFRERBB3
Ammonia Solution, Strong SCHEMBL23859934 0.84 SYK (0.76) SYKL3MBTL1ERBB2EGFRERBB3
Hydrochloric Acid SCHEMBL6239858 0.84 SYK (0.76) SYKL3MBTL1HTTERBB2EGFR
SCHEMBL27096805 0.78 MAPT (0.53) L3MBTL1HTTSMN1; SMN2PKMRAB9A
SCHEMBL5699048 0.76 SYK (0.53) SYKL3MBTL1ERBB2EGFRMAOA
SCHEMBL4028096 0.74 SYK (0.54) SYKL3MBTL1HTTERBB2EGFR
SCHEMBL17601189 0.74 SYK (1.00) SYKL3MBTL1ERBB2EGFRHRH1
SCHEMBL30623239 0.74 SYK (1.00) SYKL3MBTL1ERBB2EGFRHRH1

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-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 WO disclosed