SCHEMBL28601134

SCHEMBL28601134

CNc1cncc(-c2cc3cc(OC(N)=O)ncc3c(N)c2F)c1C

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.59

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
SCHEMBL20516709 0.88 MAP4K1 (0.61) MAP4K1
SCHEMBL28602791 0.83 MAP4K1 (0.69) MAP4K1
SCHEMBL21827166 0.82 MAP4K1 (0.70) MAP4K1
SCHEMBL21872772 0.77 MAP4K1 (0.71) MAP4K1
SCHEMBL21874617 0.75 MAP4K1 (0.81) MAP4K1
SCHEMBL28609774 0.74 MAP4K1 (0.60) MAP4K1
SCHEMBL28609829 0.74 MAP4K1 (0.60) MAP4K1
SCHEMBL28609775 0.74 MAP4K1 (0.60) MAP4K1
SCHEMBL21860012 0.74 MAP4K1 (1.00) MAP4K1
SCHEMBL21860253 0.74 MAP4K1 (1.00) MAP4K1

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
CN-113166062-A 8-aminoisoquinoline compounds and uses thereof 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed