SCHEMBL25445314

SCHEMBL25445314

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)NCCNC(=O)CN

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ PTK6 Q13882 1/20 0.34
▸ TTK P33981 11/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL22124577 0.93 MAPKAPK5 (0.34) MAPKAPK5PTK6TTKP2RX3SYK
SCHEMBL22122968 0.92 MAPKAPK5 (0.35) MAPKAPK5PTK6TTKP2RX3SYK
SCHEMBL22123124 0.92 SYK (0.37) MAPKAPK5PTK6TTKSYKIDO1
SCHEMBL30171715 0.92 SYK (0.37) MAPKAPK5PTK6TTKSYKIDO1
SCHEMBL22124715 0.92 CDK2 (0.34) MAPKAPK5PTK6TTKP2RX3CDK2
SCHEMBL30171828 0.92 CDK2 (0.34) MAPKAPK5PTK6TTKP2RX3CDK2
SCHEMBL22123047 0.92 MAPKAPK5 (0.35) MAPKAPK5PTK6TTKP2RX3SYK
Hydrochloric Acid SCHEMBL30171953 0.91 MAPKAPK5 (0.34) MAPKAPK5PTK6TTKP2RX3SYK
SCHEMBL22123470 0.91 MAPKAPK5 (0.34) MAPKAPK5PTK6TTKP2RX3SYK
SCHEMBL22122891 0.91 TTK (0.35) MAPKAPK5PTK6TTKP2RX3CDK2

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-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
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