SCHEMBL30340650

SCHEMBL30340650

COc1cc(N2CCN(C)CC2)ccc1Nc1cc(Nc2cccc(NS(C)(=O)=O)c2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.53
▸ MAPK10 P53779 1/20 0.52
▸ BRD4 O60885 3/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ JAK3 P52333 1/20 0.47
▸ CTSC P53634 2/20 0.47
▸ PTK2 Q05397 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALK Q9UM73 3/20 0.46
▸ INSR P06213 1/20 0.45
▸ NPM1 P06748 1/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ DYRK1B Q9Y463 1/20 0.45

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
SCHEMBL30340490 0.89 MAPK10 (0.52) EGFRMAPK10BRD4JAK2JAK3
SCHEMBL30340737 0.85 MAPK10 (0.51) EGFRMAPK10BRD4PTK2ALK
SCHEMBL30340587 0.84 CDK2 (0.55) EGFRMAPK10BRD4PTK2ALK
SCHEMBL30340656 0.83 IGF1R (0.53) EGFRMAPK10BRD4JAK3CTSC
SCHEMBL30340548 0.83 MAPK10 (0.51) EGFRMAPK10BRD4JAK2JAK3
SCHEMBL30340667 0.82 MAPK10 (0.55) EGFRMAPK10JAK3CTSCALK
SCHEMBL30340630 0.81 MAPK10 (0.51) EGFRMAPK10JAK3CTSCPTK2
SCHEMBL30340705 0.81 MAPK10 (0.49) EGFRMAPK10BRD4JAK2JAK3
SCHEMBL30340493 0.79 IGF1R (0.54) EGFRMAPK10BRD4PTK2ALK
SCHEMBL30340484 0.79 CDK2 (0.56) EGFRMAPK10BRD4JAK3ALK

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
EP-4402127-A1 AMINOPYRIDINES AS ACTIVATORS OF PI3 KINASE UCL Business Ltd (GB) 2024-07-24 — — EP disclosed
WO-2023041905-A1 AMINOPYRIDINES AS ACTIVATORS OF PI3 KINASE UCL BUSINESS LTD (GB) 2023-03-23 — — WO disclosed
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