SCHEMBL30107568

SCHEMBL30107568

CC(C)(C#N)C(=O)Nc1cc2cc(Cl)nc(Cl)c2cn1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 17/20 0.52
S1PR2 O95136 1/20 0.35
ABL1 P00519 2/20 0.34

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
SCHEMBL20518925 1.00 MAP4K1 (0.52) MAP4K1S1PR2ABL1
SCHEMBL30107216 0.88 MAP4K1 (0.63) MAP4K1
SCHEMBL20518985 0.88 MAP4K1 (0.63) MAP4K1
SCHEMBL20519921 0.79 L3MBTL1 (0.50) MAP4K1ABL1
SCHEMBL30107289 0.79 L3MBTL1 (0.50) MAP4K1ABL1
SCHEMBL20518939 0.79 MAP4K1 (0.40) MAP4K1ABL1
SCHEMBL20520009 0.79 GSK3B (0.47) MAP4K1ABL1
SCHEMBL30107158 0.78 MAP4K1 (0.52) MAP4K1S1PR2
SCHEMBL20519542 0.78 MAP4K1 (0.52) MAP4K1S1PR2
SCHEMBL20519440 0.78 MAP4K1 (0.48) MAP4K1S1PR2ABL1

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-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed