SCHEMBL30729937

SCHEMBL30729937

Nc1cc(Cl)c(OCc2ccccn2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.64
KMO O15229 2/20 0.43
SLC6A4 P31645 1/20 0.43
EGFR P00533 3/20 0.42
ERBB2 P04626 2/20 0.42
ERBB3 P21860 1/20 0.42
ERBB4 Q15303 1/20 0.42
ABCB1 P08183 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39

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
SCHEMBL21835202 1.00 SYK (0.64) SYKKMOSLC6A4EGFRERBB2
SCHEMBL9873250 0.94 SYK (0.64) SYKKMOSLC6A4EGFRERBB2
SCHEMBL8306570 0.87 SYK (0.54) SYKABCB1HTR1ADRD2AURKB
SCHEMBL21835286 0.83 SYK (0.50) SYKEGFRERBB2ABCB1HTR1A
SCHEMBL30296587 0.80 MGAM (0.47) EGFRERBB2RAB9ASMN1; SMN2
SCHEMBL17601189 0.78 SYK (1.00) SYKKMOSLC6A4EGFRERBB2
SCHEMBL30623239 0.78 SYK (1.00) SYKKMOSLC6A4EGFRERBB2
SCHEMBL29638125 0.78 SYK (0.78) SYKKMOSLC6A4EGFRERBB2
SCHEMBL159323 0.78 SYK (0.78) SYKKMOSLC6A4EGFRERBB2
SCHEMBL27096898 0.78 SYK (0.51) SYKKMOSLC6A4EGFRALDH1A1

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