SCHEMBL29059767

SCHEMBL29059767

COc1cc(N2CC[CH]CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)[S+](C)[O-])n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 9/20 0.61
▸ INSR P06213 5/20 0.61
▸ EGFR P00533 10/20 0.60
▸ MET P08581 1/20 0.60
▸ IGF1R P08069 4/20 0.59
▸ AURKA O14965 1/20 0.59
▸ ROS1 P08922 1/20 0.59
▸ EML4 Q9HC35 1/20 0.59
▸ MAP3K7 O43318 1/20 0.58
▸ LRRK2 Q5S007 1/20 0.57
▸ ZAP70 P43403 1/20 0.57

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
SCHEMBL21432257 0.89 ALK (0.70) ALKINSREGFRMETIGF1R
SCHEMBL29059677 0.89 ALK (0.61) ALKINSREGFRMETIGF1R
SCHEMBL29059805 0.86 EGFR (0.78) ALKINSREGFRMETIGF1R
SCHEMBL29059678 0.86 ALK (0.74) ALKINSREGFRIGF1RZAP70
SCHEMBL30502332 0.86 ALK (0.60) ALKINSREGFRMETIGF1R
SCHEMBL29059672 0.85 ALK (0.58) ALKINSREGFRMETIGF1R
SCHEMBL29059680 0.84 ALK (0.56) ALKINSREGFRMETIGF1R
SCHEMBL29059834 0.84 ALK (0.66) ALKINSREGFRMETIGF1R
SCHEMBL28680439 0.82 ALK (0.84) ALKINSREGFRMETIGF1R
SCHEMBL21432481 0.81 EGFR (0.60) ALKINSREGFRMETIGF1R

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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