SCHEMBL30107463

SCHEMBL30107463

O=C(Nc1cc2cc(Cl)nc(Cl)c2cn1)C1CC1(F)F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.50
ABL1 P00519 8/20 0.46
PIK3C3 Q8NEB9 2/20 0.39
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAP4K4 O95819 1/20 0.38
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37

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
SCHEMBL20519226 1.00 MAP4K1 (0.50) MAP4K1ABL1PIK3C3WNT1GSK3B
SCHEMBL20519054 0.88 MAP4K1 (0.61) MAP4K1ABL1
SCHEMBL30107302 0.88 MAP4K1 (0.61) MAP4K1ABL1
SCHEMBL20519125 0.84 MAP4K1 (0.60) MAP4K1ABL1JAK2TYK2
SCHEMBL30107525 0.84 MAP4K1 (0.60) MAP4K1ABL1JAK2TYK2
SCHEMBL20519156 0.82 MAP4K1 (0.56) MAP4K1
SCHEMBL20519497 0.82 MAP4K1 (0.56) MAP4K1
SCHEMBL20519079 0.82 MAP4K1 (0.56) MAP4K1
SCHEMBL21334849 0.82 MAP4K1 (0.56) MAP4K1
SCHEMBL21334650 0.82 MAP4K1 (0.56) 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