SCHEMBL24256003

SCHEMBL24256003

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc(NS(=O)(=O)C(C)(C)C)cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.69
▸ ALK Q9UM73 9/20 0.66
▸ INSR P06213 3/20 0.64
▸ IGF1R P08069 3/20 0.64
▸ BRD4 O60885 8/20 0.64
▸ JAK2 O60674 1/20 0.64
▸ JAK1 P23458 1/20 0.62
▸ BRD2 P25440 1/20 0.62
▸ JAK3 P52333 1/20 0.62
▸ BRD3 Q15059 1/20 0.62
▸ BRDT Q58F21 1/20 0.62

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
SCHEMBL24255895 0.92 BRD4 (0.70) EGFRBRD4JAK2JAK1BRD2
SCHEMBL24255898 0.91 EGFR (0.80) EGFRALKINSRIGF1RBRD4
SCHEMBL24255885 0.88 BRD4 (0.80) BRD4JAK2JAK1BRD2JAK3
SCHEMBL24255886 0.85 BRD4 (0.77) BRD4JAK2JAK1BRD2JAK3
SCHEMBL24255333 0.84 BRD4 (0.59) EGFRALKINSRIGF1RBRD4
SCHEMBL21847015 0.82 EGFR (1.00) EGFRALKINSRIGF1R
SCHEMBL29609251 0.82 EGFR (1.00) EGFRALKINSRIGF1R
SCHEMBL20398846 0.81 ALK (0.75) EGFRALKINSRIGF1RBRD4
SCHEMBL22087018 0.81 EGFR (0.87) EGFRALKINSRIGF1R
SCHEMBL24255912 0.81 BRD4 (0.65) BRD4JAK2JAK1BRD2JAK3

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
WO-2022036313-A1 PYRIMIDINYL SULFONAMIDES AS INHIBITORS OF ACK1/TNK1 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-02-17 — — WO disclosed
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