SCHEMBL21819909

SCHEMBL21819909

Cc1ccc(-c2cc(Nc3cccc4c3CCN(C3CCS(=O)(=O)CC3)C4)ccc2C)nc1.Cc1cnc(-c2cc(Nc3cccc4c3CCN(S(C)(=O)=O)C4)ccc2C)cc1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.33
JAK2 O60674 4/20 0.33
EGFR P00533 1/20 0.31
BTK Q06187 1/20 0.31
SYK P43405 1/20 0.31
SMO Q99835 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
BRD4 O60885 1/20 0.30
BRD9 Q9H8M2 1/20 0.30

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
SCHEMBL2025699 0.91 BRD9 (0.35) EGFRSMOBRD4BRD9
SCHEMBL2028548 0.86 NAMPT (0.34) SMOBRD4BRD9
SCHEMBL1922118 0.86 NAMPT (0.34) SMOBRD4BRD9
SCHEMBL2030372 0.86 NAMPT (0.34) SMOBRD4BRD9
SCHEMBL1922408 0.86 JAK3 (0.38) JAK3JAK2EGFRBTKSYK
SCHEMBL302411 0.85 JAK3 (0.40) JAK3JAK2EGFRBTKSYK
SCHEMBL2032777 0.84 BRD9 (0.35) EGFRBTKSMOBRD4BRD9
SCHEMBL1924064 0.80 NAMPT (0.34) EGFRBTKBRD4BRD9
SCHEMBL303148 0.79 JAK2 (0.44) JAK3JAK2SYKSMOPTGDR2
SCHEMBL1922278 0.79 AVPR2 (0.32) BRD4BRD9

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-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP disclosed