SCHEMBL29817822

SCHEMBL29817822

CC(C)n1cc(-c2ccc(CNC(=O)c3ccccc3F)cc2)c2c(N)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.57
▸ BTK Q06187 7/20 0.57
▸ KDR P35968 7/20 0.56
▸ TEK Q02763 7/20 0.56
▸ LCK P06239 5/20 0.56
▸ SRC P12931 1/20 0.53
▸ PDPK1 O15530 1/20 0.49
▸ PIK3CD O00329 1/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ PIK3CB P42338 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ PRKDC P78527 1/20 0.49
▸ RET P07949 1/20 0.47

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
SCHEMBL29099018 1.00 EGFR (0.57) EGFRBTKKDRTEKLCK
SCHEMBL29817882 0.88 EGFR (0.71) EGFRBTKKDRTEKLCK
SCHEMBL29098961 0.88 EGFR (0.71) EGFRBTKKDRTEKLCK
SCHEMBL29098950 0.87 KDR (0.61) EGFRBTKKDRTEKLCK
SCHEMBL29818017 0.87 KDR (0.61) EGFRBTKKDRTEKLCK
SCHEMBL29817964 0.85 EGFR (0.65) EGFRBTKKDRTEKLCK
SCHEMBL29098975 0.85 EGFR (0.65) EGFRBTKKDRTEKLCK
SCHEMBL29098988 0.79 EGFR (0.65) EGFRBTK
SCHEMBL29817807 0.77 EGFR (0.64) EGFRBTK
SCHEMBL2073296 0.75 KDR (0.76) EGFRKDRTEKLCKSRC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573586-B Polycyclic compound for inhibiting Bruton tyrosine kinase activity, pharmaceutical composition and application thereof 杭州和正医药有限公司 2023-11-03 — — CN disclosed
CN-114573586-A Polycyclic compound for inhibiting Bruton's tyrosine kinase activity, pharmaceutical composition and application thereof 杭州和正医药有限公司 2022-06-03 — — CN disclosed
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