SCHEMBL23735117

SCHEMBL23735117

C=CC(=O)N1CCC[C@@H](Nc2ncnc(N)c2C(=N)c2ccc(OCc3cccc(F)c3)nc2)C1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.55
JAK3 P52333 7/20 0.49
EGFR P00533 3/20 0.47
JAK1 P23458 1/20 0.44
ITK Q08881 1/20 0.43

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
SCHEMBL23735001 0.89 BTK (0.55) BTKJAK3EGFRJAK1ITK
SCHEMBL21386733 0.89 BTK (0.62) BTKJAK3EGFRITK
SCHEMBL19097937 0.88 BTK (0.56) BTKJAK3EGFRJAK1
SCHEMBL19097594 0.88 BTK (0.54) BTKJAK3EGFRJAK1
SCHEMBL19097623 0.88 BTK (0.54) BTKJAK3EGFRJAK1
SCHEMBL23735109 0.86 BTK (0.52) BTKJAK3EGFRJAK1
SCHEMBL21386736 0.86 BTK (0.61) BTKJAK3EGFRJAK1ITK
SCHEMBL23735084 0.85 BTK (0.59) BTKJAK3EGFRJAK1
SCHEMBL19097831 0.85 BTK (0.58) BTKJAK3EGFRJAK1ITK
SCHEMBL19097939 0.85 BTK (0.55) BTKJAK3EGFRJAK1ITK

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-3398950-B1 NOVEL KINASE INHIBITOR AGAINST WILD-TYPE EGFR AND MUTATED EGFR PRECEDO PHARMACEUTICALS CO LTD (CN) 2021-08-11 EP disclosed