SCHEMBL29782624

SCHEMBL29782624

Cc1[nH]c2c(C#N)ccc(N3CCC[C@H](NC(=O)OCc4ccccc4)C3)c2c1C

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.53
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50

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
SCHEMBL20853431 1.00 BTK (0.53) BTKCTSLCTSBCTSK
SCHEMBL17707883 1.00 BTK (0.53) BTKCTSLCTSBCTSK
SCHEMBL20863093 0.87 BTK (0.54) BTKCTSLCTSBCTSK
SCHEMBL17707905 0.87 BTK (0.54) BTKCTSLCTSBCTSK
SCHEMBL29782655 0.87 BTK (0.54) BTKCTSLCTSBCTSK
SCHEMBL17699921 0.87 BTK (0.60) BTK
SCHEMBL21509051 0.86 CTSL (0.47) BTKCTSLCTSBCTSK
SCHEMBL19715369 0.86 CTSL (0.47) BTKCTSLCTSBCTSK
SCHEMBL146149 0.83 CTSL (0.46) BTKCTSLCTSBCTSK
SCHEMBL146148 0.83 CTSL (0.46) BTKCTSLCTSBCTSK

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
CN-110511209-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2022-07-05 CN disclosed