SCHEMBL29059669

SCHEMBL29059669

COc1cc(N2CCC(C(=O)O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N[S+](C)[O-])n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.62
▸ ALK Q9UM73 7/20 0.61
▸ INSR P06213 4/20 0.61
▸ IGF1R P08069 4/20 0.61
▸ MAP3K7 O43318 1/20 0.61
▸ ZAP70 P43403 1/20 0.61
▸ MAPK8 P45983 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ MAPK10 P53779 1/20 0.59
▸ MAPK3 P27361 1/20 0.59

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
SCHEMBL29059698 0.94 ALK (0.64) EGFRALKINSRIGF1RMAP3K7
SCHEMBL29059677 0.89 ALK (0.61) EGFRALKINSRIGF1RMAP3K7
SCHEMBL29059911 0.86 EGFR (0.66) EGFRALKINSRIGF1R
Hydrochloric Acid SCHEMBL29059831 0.86 ALK (0.63) EGFRALKINSRIGF1RMAP3K7
SCHEMBL29059883 0.85 ALK (0.62) EGFRALKINSRIGF1RMAP3K7
SCHEMBL29059827 0.85 ALK (0.77) EGFRALKINSRIGF1RMAP3K7
Hydrochloric Acid SCHEMBL29059662 0.85 EGFR (0.67) EGFRALKINSRIGF1R
SCHEMBL29059829 0.84 ALK (0.60) EGFRALKINSRIGF1RMAP3K7
SCHEMBL29059813 0.84 ALK (0.65) EGFRALKINSRIGF1RMAP3K7
SCHEMBL29059803 0.83 ALK (0.62) EGFRALKINSRIGF1RMAP3K7

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
CN-116490184-A Compounds for inhibiting EGFR mutant cancers and pharmaceutical uses thereof J2H生物科技有限公司 2023-07-25 — — CN disclosed
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