SCHEMBL28491900

SCHEMBL28491900

COC(=O)Nc1cc(-c2cc(F)c(OCC(C)(N)CC(C)C)cc2F)ncn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 20/20 1.00
CYP3A4 P08684 2/20 0.54

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
SCHEMBL21649260 1.00 AAK1 (1.00) AAK1CYP3A4
SCHEMBL20447028 0.91 AAK1 (0.84) AAK1
SCHEMBL21508528 0.82 AAK1 (1.00) AAK1
SCHEMBL21649259 0.82 AAK1 (1.00) AAK1
SCHEMBL28491898 0.82 AAK1 (0.69) AAK1
SCHEMBL28479809 0.80 AAK1 (0.69) AAK1
SCHEMBL28479810 0.80 AAK1 (0.69) AAK1
SCHEMBL20447039 0.80 AAK1 (1.00) AAK1
SCHEMBL20573912 0.80 AAK1 (1.00) AAK1
SCHEMBL21508573 0.80 AAK1 (0.66) AAK1CYP3A4

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 3 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 claimed
CN-108368084-B Biaryl kinase inhibitors 百时美施贵宝公司 2020-10-16 CN claimed
CN-108368084-B Biaryl kinase inhibitors 百时美施贵宝公司 2020-10-16 CN disclosed