SCHEMBL30107435

SCHEMBL30107435

N#CCC(=O)Nc1cc2cc(Cl)nc(Cl)c2cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.48
ABL1 P00519 8/20 0.43
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
S1PR2 O95136 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
PTGS2 P35354 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL20519440 1.00 MAP4K1 (0.48) MAP4K1ABL1JAK2JAK3S1PR2
SCHEMBL30107367 0.88 MAP4K1 (0.59) MAP4K1ABL1
SCHEMBL20519701 0.88 MAP4K1 (0.59) MAP4K1ABL1
SCHEMBL20519921 0.78 L3MBTL1 (0.50) MAP4K1ABL1JAK2KDM4EEGFR
SCHEMBL30107289 0.78 L3MBTL1 (0.50) MAP4K1ABL1JAK2KDM4EEGFR
SCHEMBL20519542 0.78 MAP4K1 (0.52) MAP4K1S1PR2
SCHEMBL30107158 0.78 MAP4K1 (0.52) MAP4K1S1PR2
SCHEMBL20518925 0.78 MAP4K1 (0.52) MAP4K1ABL1S1PR2
SCHEMBL30107568 0.78 MAP4K1 (0.52) MAP4K1ABL1S1PR2
SCHEMBL20519399 0.77 MAP4K1 (0.62) 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-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed