SCHEMBL29480508

SCHEMBL29480508

CC(C#N)C1CCN(C(=O)n2cc(-c3ccnc4[nH]c(=O)[nH]c34)cn2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.41
▸ RET P07949 3/20 0.36
▸ SPR P35270 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CASP3 P42574 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK2 O60674 2/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.31

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
SCHEMBL29480529 0.85 BTK (0.42) BTKBRD4CDK9JAK1JAK2
SCHEMBL22735884 0.85 BTK (0.42) BTKBRD4CDK9JAK1JAK2
SCHEMBL22736139 0.83 BTK (0.41) BTKSPRBRD4JAK1JAK2
SCHEMBL22735988 0.83 BTK (0.42) BTKBRD4JAK1JAK2
SCHEMBL29480557 0.83 BTK (0.42) BTKBRD4JAK1JAK2
SCHEMBL22736128 0.82 BTK (0.41) BTKRETBRD4JAK1JAK2
SCHEMBL29567233 0.82 BTK (0.41) BTKRETBRD4JAK1JAK2
SCHEMBL29480545 0.81 BTK (0.39) BTKBRD4CDK9JAK1JAK2
SCHEMBL22736466 0.78 BRD4 (0.42) BTKBRD4JAK1JAK2
SCHEMBL22735987 0.77 BTK (0.37) BTKBRD4CASP3CDK9CASP7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN claimed
CN-114174294-B Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2024-10-25 — — CN disclosed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN disclosed
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