SCHEMBL29609251

SCHEMBL29609251

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 1.00
▸ LRRK2 Q5S007 1/20 0.83
▸ ALK Q9UM73 3/20 0.74
▸ ROS1 P08922 2/20 0.74
▸ INSR P06213 1/20 0.73
▸ IGF1R P08069 1/20 0.73

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
SCHEMBL21847015 1.00 EGFR (1.00) EGFRLRRK2ALKROS1INSR
SCHEMBL21847017 0.93 EGFR (1.00) EGFRLRRK2ALKINSRIGF1R
SCHEMBL21846986 0.93 EGFR (1.00) EGFRLRRK2ALKROS1INSR
SCHEMBL22087018 0.92 EGFR (0.87) EGFRLRRK2ALKINSRIGF1R
SCHEMBL29429981 0.91 EGFR (1.00) EGFRLRRK2ALKINSRIGF1R
SCHEMBL21847016 0.91 EGFR (0.83) EGFRLRRK2ALK
SCHEMBL21846999 0.91 EGFR (1.00) EGFRLRRK2ALK
SCHEMBL1460537 0.91 EGFR (1.00) EGFRLRRK2ALKINSRIGF1R
Hydrochloric Acid SCHEMBL17262629 0.90 EGFR (0.98) EGFRLRRK2ALKINSRIGF1R
SCHEMBL21846984 0.90 EGFR (1.00) EGFRLRRK2

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-112662802-B Wheat root length molecular marker and application thereof 中国科学院遗传与发育生物学研究所 2022-06-14 — — CN disclosed
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