SCHEMBL21953828

SCHEMBL21953828

COc1cc(C2CCCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1

nearest known ligand 0.94

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.94
▸ MET P08581 1/20 0.76
▸ INSR P06213 1/20 0.70
▸ IGF1R P08069 1/20 0.70
▸ ALK Q9UM73 1/20 0.70
▸ LRRK2 Q5S007 1/20 0.65

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
SCHEMBL21847009 0.97 EGFR (1.00) EGFRMETINSRIGF1RALK
SCHEMBL21846980 0.92 EGFR (1.00) EGFRMETINSRIGF1RALK
SCHEMBL21847006 0.88 EGFR (1.00) EGFRMETALKLRRK2
SCHEMBL21846983 0.88 EGFR (1.00) EGFRMETLRRK2
SCHEMBL21846990 0.86 EGFR (1.00) EGFRMETALK
SCHEMBL21846971 0.86 EGFR (1.00) EGFRMET
SCHEMBL21847014 0.84 EGFR (1.00) EGFRMETALK
SCHEMBL29609251 0.84 EGFR (1.00) EGFRINSRIGF1RALKLRRK2
SCHEMBL21847015 0.84 EGFR (1.00) EGFRINSRIGF1RALKLRRK2
SCHEMBL21846970 0.84 EGFR (1.00) EGFRMET

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
EP-3640246-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER Korea Research Institute of Chemical Technology (KR) 2020-04-22 — — EP disclosed
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