SCHEMBL17653183

SCHEMBL17653183

CCc1nc(CCC(C)C)nc2c(OC)cc(-c3cnco3)cc12

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 19/20 0.58
IMPDH2 P12268 1/20 0.36

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
SCHEMBL17653399 0.80 AAK1 (0.67) AAK1
SCHEMBL17653163 0.80 AAK1 (0.67) AAK1IMPDH2
SCHEMBL17653204 0.79 AAK1 (0.67) AAK1
SCHEMBL17653347 0.74 AAK1 (0.41) AAK1IMPDH2
SCHEMBL17493928 0.74 AAK1 (1.00) AAK1IMPDH2
SCHEMBL17653170 0.73 AAK1 (0.55) AAK1IMPDH2
SCHEMBL17653102 0.72 AAK1 (0.65) AAK1
SCHEMBL17653228 0.72 AAK1 (0.67) AAK1
SCHEMBL17653221 0.71 AAK1 (0.50) AAK1
SCHEMBL17653227 0.69 AAK1 (0.51) AAK1IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3200797-A1 QUINAZOLINE-BASED KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-09 EP disclosed
WO-2016053794-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 WO disclosed