SCHEMBL24488377

SCHEMBL24488377

COc1cc(OC)c(F)c(-c2cc3cnc(N)nc3c(N3CCC3)n2)c1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.44
▸ JAK2 O60674 3/20 0.39
▸ JAK1 P23458 3/20 0.39
▸ TYK2 P29597 3/20 0.39
▸ KDR P35968 3/20 0.39
▸ JAK3 P52333 3/20 0.39
▸ AURKB Q96GD4 3/20 0.39
▸ SPIN1 Q9Y657 2/20 0.34
▸ MAP2K7 O14733 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ GAK O14976 1/20 0.34
▸ MAP4K1 Q92918 2/20 0.33
▸ NEK2 P51955 2/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ NEK1 Q96PY6 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL21252225 0.90 NOS1 (0.45) NOS1MAP2K7GAKMAP4K1
SCHEMBL21251916 0.89 TTK (0.39) NOS1JAK2JAK1TYK2KDR
SCHEMBL21252039 0.88 TTK (0.37) NOS1JAK2JAK1TYK2KDR
SCHEMBL21602818 0.88 NOS1 (0.38) NOS1LRRK2GAKMAP4K1
SCHEMBL24488400 0.87 MAP3K12 (0.38) NOS1JAK2JAK1TYK2KDR
SCHEMBL24488321 0.87 NOS1 (0.44) NOS1JAK2JAK1TYK2KDR
SCHEMBL20330834 0.86 TTK (0.37) NOS1JAK2JAK1TYK2KDR
SCHEMBL21251781 0.85 JAK2 (0.36) NOS1JAK2JAK1TYK2KDR
SCHEMBL21252086 0.85 JAK2 (0.38) NOS1JAK2JAK1TYK2KDR
SCHEMBL21252314 0.85 GAK (0.39) JAK2JAK1TYK2KDRJAK3

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
EP-3524603-B1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2022-06-08 — — EP disclosed
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