SCHEMBL30386133

SCHEMBL30386133

COC(=O)c1ccc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)cc1C.COc1ccc(-c2cnc3c(Nc4ccc(C(=O)O)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 6/20 0.39
▸ PTK6 Q13882 2/20 0.38
▸ TTK P33981 3/20 0.37
▸ DHODH Q02127 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PTK2 Q05397 2/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ IDO1 P14902 2/20 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
SCHEMBL25170422 0.97 SYK (0.41) SYKPTK6TTKDHODHMEN1
SCHEMBL25173403 0.97 SYK (0.41) SYKPTK6TTKPTK2MAPKAPK5
SCHEMBL30385514 0.96 SYK (0.40) SYKPTK6TTKDHODHMEN1
Hydrochloric Acid SCHEMBL30385672 0.96 SYK (0.40) SYKPTK6TTKDHODHMEN1
Hydrochloric Acid SCHEMBL30386327 0.91 SYK (0.38) SYKPTK6TTKPTK2MAPKAPK5
SCHEMBL30171749 0.89 SYK (0.49) SYKPTK6MAPKAPK5
SCHEMBL30385532 0.89 PTK6 (0.37) SYKPTK6TTKDHODHPTK2
SCHEMBL22123172 0.89 TTK (0.41) SYKPTK6TTKPTK2IDO1
SCHEMBL30171980 0.89 TTK (0.41) SYKPTK6TTKPTK2IDO1
SCHEMBL22124340 0.88 CDK2 (0.44) SYKPTK6TTKMAPKAPK5IDO1

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
Send feedback