SCHEMBL29901164

SCHEMBL29901164

Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)cnc1NC(=O)CC#N

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 5/20 0.57
▸ JAK3 P52333 5/20 0.57
▸ TYK2 P29597 2/20 0.57
▸ JAK2 O60674 4/20 0.55
▸ STAT3 P40763 1/20 0.55
▸ MAP3K14 Q99558 1/20 0.51
▸ BTK Q06187 14/20 0.51
▸ CYP3A4 P08684 1/20 0.48
▸ HRH2 P25021 1/20 0.48
▸ CDK7 P50613 1/20 0.48
▸ CD69 Q07108 1/20 0.48
▸ AAK1 Q2M2I8 1/20 0.48
▸ MAP3K19 Q56UN5 1/20 0.48
▸ CDKL2 Q92772 1/20 0.48
▸ RIOK1 Q9BRS2 1/20 0.48
▸ RIOK2 Q9BVS4 1/20 0.48
▸ BMP2K Q9NSY1 1/20 0.48

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
SCHEMBL23275614 1.00 JAK1 (0.57) JAK1JAK3TYK2JAK2STAT3
SCHEMBL23275683 0.90 JAK1 (0.57) JAK1JAK3TYK2JAK2STAT3
SCHEMBL23275660 0.87 JAK1 (0.63) JAK1JAK3TYK2JAK2STAT3
SCHEMBL23275745 0.86 BTK (0.53) JAK1JAK3TYK2JAK2STAT3
SCHEMBL29901154 0.85 JAK1 (0.63) JAK1JAK3TYK2JAK2STAT3
SCHEMBL23281855 0.85 JAK1 (0.63) JAK1JAK3TYK2JAK2STAT3
SCHEMBL27228445 0.85 JAK3 (0.76) JAK1JAK3TYK2JAK2STAT3
SCHEMBL29901144 0.85 JAK1 (0.60) JAK1JAK3TYK2JAK2STAT3
SCHEMBL23281905 0.85 JAK1 (0.60) JAK1JAK3TYK2JAK2STAT3
SCHEMBL23275647 0.83 JAK1 (0.58) JAK1JAK3TYK2JAK2STAT3

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-4050009-A1 SMALL MOLECULE COMPOUND Technoderma Medicines Pte Ltd (CN) 2022-08-31 — — EP disclosed
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