SCHEMBL22735988

SCHEMBL22735988

N#CCC1CCN(C(=O)n2cc(-c3ccnc4[nH]c(=O)[nH]c34)cn2)C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.42
▸ JAK1 P23458 11/20 0.37
▸ JAK2 O60674 11/20 0.35
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL29480557 1.00 BTK (0.42) BTKJAK1JAK2BRD4
SCHEMBL29567233 0.92 BTK (0.41) BTKJAK1JAK2BRD4
SCHEMBL22736128 0.92 BTK (0.41) BTKJAK1JAK2BRD4
SCHEMBL22735884 0.87 BTK (0.42) BTKJAK1JAK2BRD4
SCHEMBL29480529 0.87 BTK (0.42) BTKJAK1JAK2BRD4
SCHEMBL22736139 0.85 BTK (0.41) BTKJAK1JAK2BRD4
SCHEMBL29480508 0.83 BTK (0.41) BTKJAK1JAK2BRD4
SCHEMBL29480545 0.83 BTK (0.39) BTKJAK1JAK2BRD4
SCHEMBL22736054 0.76 BTK (0.42) BTKJAK1JAK2BRD4
SCHEMBL22736466 0.76 BRD4 (0.42) BTKJAK1JAK2BRD4

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-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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