SCHEMBL20184206

SCHEMBL20184206

CC(C)n1nnc(-c2cccc(Nc3ncnn4cc(C(=O)O)c(CN5CCC(N)CC5)c34)c2)n1

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 20/20 0.87

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
SCHEMBL16635631 0.93 AAK1 (1.00) AAK1
SCHEMBL16635815 0.83 AAK1 (1.00) AAK1
SCHEMBL16646891 0.82 AAK1 (0.80) AAK1
SCHEMBL16636242 0.82 AAK1 (1.00) AAK1
SCHEMBL16646846 0.80 AAK1 (0.84) AAK1
SCHEMBL16636200 0.76 AAK1 (1.00) AAK1
SCHEMBL16636445 0.75 AAK1 (1.00) AAK1
SCHEMBL16636236 0.75 AAK1 (1.00) AAK1
SCHEMBL20184196 0.75 AAK1 (0.83) AAK1
SCHEMBL16636454 0.75 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
Send feedback