SCHEMBL23442677

SCHEMBL23442677

CN1CCN(C2CCN(c3cc(C(=O)S)c(Nc4ncc(Br)c(Nc5cnc6ccccc6c5P(C)(C)=O)n4)cc3-c3ccn(C)c3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.49
▸ ALK Q9UM73 4/20 0.43
▸ INSR P06213 3/20 0.41
▸ IGF1R P08069 3/20 0.41

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
SCHEMBL23442682 0.90 EGFR (0.50) EGFRALKINSRIGF1R
SCHEMBL23442604 0.90 EGFR (0.59) EGFRALKINSRIGF1R
SCHEMBL23442887 0.86 EGFR (0.50) EGFRALKINSRIGF1R
SCHEMBL23442001 0.82 EGFR (0.69) EGFRALKINSRIGF1R
SCHEMBL23441730 0.82 EGFR (0.60) EGFRALKINSRIGF1R
SCHEMBL23442545 0.81 EGFR (0.59) EGFRALKINSRIGF1R
SCHEMBL23441958 0.80 EGFR (0.59) EGFRALKINSRIGF1R
SCHEMBL23442608 0.80 EGFR (0.58) EGFRALKINSRIGF1R
SCHEMBL23442858 0.80 EGFR (0.66) EGFRALKINSRIGF1R
SCHEMBL23442616 0.80 EGFR (0.56) EGFRALKINSRIGF1R

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-2021104441-A1 POLYAROMATIC COMPOUND AS EGFR KINASE INHIBITOR 江苏先声药业有限公司 2021-06-03 — — WO disclosed
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