SCHEMBL21747850

SCHEMBL21747850

C[Si](C)(C)c1[nH]c2nccc(Cl)c2c1-c1ccc2c(c1)N(C(=O)O)CCO2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ FGFR4 P22455 3/20 0.39
▸ JAK3 P52333 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.34
▸ ALK Q9UM73 2/20 0.34
▸ EGFR P00533 3/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ ITK Q08881 1/20 0.34
▸ IMPDH2 P12268 1/20 0.34

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
SCHEMBL21747995 0.91 FGFR4 (0.49) FGFR4JAK3MAPKAPK2ALKEGFR
SCHEMBL21753048 0.88 EGFR (0.40) PDE3BPDE3AFGFR4JAK3MAPT
SCHEMBL29700774 0.88 EGFR (0.40) PDE3BPDE3AFGFR4JAK3MAPT
SCHEMBL21747965 0.85 ALK (0.37) FGFR4JAK3ALK
SCHEMBL21747950 0.83 BTK (0.38) FGFR4MAPTALK
SCHEMBL24699679 0.81 FGFR4 (0.50) FGFR4JAK3MAPKAPK2ALKEGFR
SCHEMBL21747911 0.79 FGFR4 (0.48) FGFR4JAK3MAPKAPK2ALKEGFR
SCHEMBL21761373 0.78 EGFR (0.41) PDE3BPDE3AFGFR4JAK3MAPT
SCHEMBL21761299 0.77 FGFR4 (0.46) FGFR4JAK3MAPKAPK2ALKEGFR
SCHEMBL21760533 0.77 EGFR (0.40) PDE3BPDE3AFGFR4JAK3MAPT

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-3613738-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER Lead Discovery Center GmbH (DE) 2020-02-26 — — EP disclosed
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