SCHEMBL29650985

SCHEMBL29650985

Clc1ncc2ccn(-c3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
AURKA O14965 2/20 0.44
CDC7 O00311 1/20 0.44
CHEK1 O14757 1/20 0.44
DCLK1 O15075 1/20 0.44
MAPK13 O15264 1/20 0.44
PDPK1 O15530 1/20 0.44
DAPK3 O43293 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
CHEK2 O96017 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
NTRK1 P04629 1/20 0.44
PRKCG P05129 1/20 0.44
INSR P06213 1/20 0.44

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
SCHEMBL11916210 1.00 JAK2 (0.44) JAK2TYK2JAK3AURKACDC7
SCHEMBL17464105 0.91 SRC (0.39) JAK2TYK2JAK3AURKACDC7
SCHEMBL28316674 0.86 CYP19A1 (0.49) JAK2JAK3AURKADAPK3PAK4
SCHEMBL29651181 0.85 PTK2 (0.50) JAK2TYK2JAK3AURKACDC7
SCHEMBL28316669 0.83 JAK2 (0.40) JAK2JAK3AURKADAPK3PAK4
SCHEMBL17464102 0.83 MKNK2 (0.48) JAK2TYK2JAK3AURKACDC7
SCHEMBL25400261 0.82 PTK2 (0.38) JAK2TYK2JAK3AURKACDC7
SCHEMBL30219631 0.82 PTK2 (0.38) JAK2TYK2JAK3AURKACDC7
SCHEMBL26270373 0.79 MAPKAPK2 (0.56) JAK2TYK2JAK3AURKACDC7
SCHEMBL1749344 0.79 PTK2 (0.64) JAK2PTK2RPS6KA5RPS6KA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 CN disclosed
EP-3994133-A1 HPK1 INHIBITORS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2022-05-11 EP disclosed