SCHEMBL22595153

SCHEMBL22595153

COc1nc(N2CCC(N(C)C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2cnc3ccccc3c2P(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.47
▸ PLK1 P53350 3/20 0.45
▸ ALK Q9UM73 6/20 0.40
▸ INSR P06213 2/20 0.40
▸ IGF1R P08069 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ ROS1 P08922 1/20 0.40
▸ EML4 Q9HC35 1/20 0.40

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
SCHEMBL22596390 0.91 PLK1 (0.45) EGFRPLK1ALKINSRIGF1R
SCHEMBL22595142 0.84 EGFR (0.61) EGFRPLK1
Trifluoroacetic Acid SCHEMBL22587656 0.83 EGFR (0.53) EGFRPLK1ALKINSRIGF1R
SCHEMBL22595152 0.81 EGFR (0.49) EGFRPLK1ALKINSRIGF1R
SCHEMBL22595185 0.80 EGFR (0.52) EGFRALKINSRIGF1R
SCHEMBL23441888 0.80 EGFR (0.61) EGFRPLK1
SCHEMBL22595285 0.80 EGFR (0.52) EGFRPLK1ALKINSRIGF1R
SCHEMBL22595277 0.80 EGFR (0.52) EGFRPLK1ALKINSRIGF1R
SCHEMBL23442002 0.79 EGFR (0.48) EGFRPLK1ALK
SCHEMBL22595685 0.78 EGFR (0.53) EGFRPLK1ALKINSRIGF1R

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-2020216371-A1 EGFR INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2020-10-29 — — WO disclosed
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