SCHEMBL20184195

SCHEMBL20184195

CCc1nc(Nc2cccc(-c3noc(C(C)C)n3)c2)c2c(C(=O)O)ccn2n1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 18/20 0.62
▸ KCNT1 Q5JUK3 1/20 0.41

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
SCHEMBL20184198 0.84 AAK1 (0.79) AAK1
SCHEMBL20184193 0.82 AAK1 (0.63) AAK1
SCHEMBL20184194 0.80 AAK1 (0.60) AAK1
SCHEMBL16636896 0.76 AAK1 (1.00) AAK1
SCHEMBL20184200 0.72 AAK1 (0.62) AAK1
SCHEMBL16635587 0.70 AAK1 (1.00) AAK1
SCHEMBL60146 0.68 L3MBTL1 (0.58) AAK1
SCHEMBL16636472 0.68 AAK1 (1.00) AAK1
SCHEMBL16646846 0.66 AAK1 (0.84) AAK1
SCHEMBL16635746 0.64 AAK1 (1.00) AAK1

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-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 — — EP claimed
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