SCHEMBL30385514

SCHEMBL30385514

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)O)c(C)c4)nccn23)c(F)c1F.[Ar]

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 7/20 0.40
▸ PTK6 Q13882 3/20 0.40
▸ TTK P33981 4/20 0.39
▸ DHODH Q02127 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPKAPK5 Q8IW41 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ AURKB Q96GD4 1/20 0.36

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
SCHEMBL25170422 0.99 SYK (0.41) SYKPTK6TTKDHODHMEN1
Hydrochloric Acid SCHEMBL30385672 0.98 SYK (0.40) SYKPTK6TTKDHODHMEN1
SCHEMBL30386133 0.96 SYK (0.39) SYKPTK6TTKDHODHMEN1
SCHEMBL25173403 0.92 SYK (0.41) SYKPTK6TTKMAPKAPK5IDO1
SCHEMBL30171749 0.92 SYK (0.49) SYKPTK6MAPKAPK5AURKB
SCHEMBL30171980 0.91 TTK (0.41) SYKPTK6TTKIDO1
SCHEMBL22123172 0.91 TTK (0.41) SYKPTK6TTKIDO1
SCHEMBL22124340 0.90 CDK2 (0.44) SYKPTK6TTKMAPKAPK5IDO1
SCHEMBL22123969 0.90 PTK6 (0.48) SYKPTK6TTKDHODHMAPKAPK5
SCHEMBL25170375 0.90 PTK6 (0.40) SYKPTK6TTKDHODHMEN1

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-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
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