SCHEMBL30379778

SCHEMBL30379778

C=CC(=O)Nc1cccc(-c2cc3c(ccn3C(=O)OC(C)(C)C)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 6/20 0.49
▸ ITK Q08881 3/20 0.47
▸ EGFR P00533 1/20 0.47
▸ JAK1 P23458 4/20 0.46
▸ JAK2 O60674 4/20 0.46
▸ SCN3A Q9NY46 5/20 0.45
▸ SCN4A P35499 3/20 0.45
▸ MAPKAPK2 P49137 1/20 0.44
▸ BTK Q06187 4/20 0.44
▸ SCN9A Q15858 2/20 0.43
▸ TYK2 P29597 1/20 0.42
▸ FGFR4 P22455 1/20 0.42

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
SCHEMBL24150504 1.00 JAK3 (0.49) JAK3ITKEGFRJAK1JAK2
SCHEMBL25053131 0.82 JAK3 (0.56) JAK3ITKJAK1JAK2MAPKAPK2
SCHEMBL30190947 0.74 JAK3 (0.68) JAK3ITKEGFRJAK1JAK2
SCHEMBL24150634 0.74 JAK3 (0.68) JAK3ITKEGFRJAK1JAK2
SCHEMBL30190928 0.71 JAK3 (0.60) JAK3ITKEGFRJAK1JAK2
SCHEMBL30190927 0.71 JAK3 (0.60) JAK3ITKEGFRJAK1JAK2
SCHEMBL24150543 0.71 JAK3 (0.60) JAK3ITKEGFRJAK1JAK2
SCHEMBL24150811 0.70 JAK3 (0.56) JAK3ITKJAK1JAK2MAPKAPK2
SCHEMBL30190614 0.70 JAK3 (0.56) JAK3ITKJAK1JAK2MAPKAPK2
SCHEMBL24150121 0.70 JAK3 (0.58) JAK3ITKJAK1JAK2MAPKAPK2

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-4167982-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 — — EP disclosed
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