SCHEMBL28482007

SCHEMBL28482007

CC(C)C[C@](C)(N)COc1cc(F)c(-c2ccnc(OC(=O)N(C)C(=O)OC(C)(C)C)n2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 20/20 0.61

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
SCHEMBL28485100 0.88 AAK1 (0.61) AAK1
SCHEMBL28479922 0.84 AAK1 (0.71) AAK1
SCHEMBL28480054 0.82 AAK1 (0.54) AAK1
SCHEMBL28482009 0.82 AAK1 (0.67) AAK1
SCHEMBL28478442 0.82 AAK1 (0.55) AAK1
SCHEMBL28481848 0.82 AAK1 (0.43) AAK1
SCHEMBL28487434 0.82 AAK1 (0.55) AAK1
SCHEMBL21485372 0.80 AAK1 (0.68) AAK1
SCHEMBL28484964 0.80 AAK1 (0.61) AAK1
SCHEMBL20447051 0.77 AAK1 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142655-A Biaryl kinase inhibitors 百时美施贵宝公司 2020-12-29 CN disclosed
CN-108368084-B Biaryl kinase inhibitors 百时美施贵宝公司 2020-10-16 CN disclosed