SCHEMBL24112476

SCHEMBL24112476

CCCCCNC(=O)c1ccc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)cc1CC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.35
▸ TTK P33981 9/20 0.34
▸ P2RX3 P56373 1/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.33
▸ CDK2 P24941 2/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ IDO1 P14902 2/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31

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
SCHEMBL25452962 0.94 PTK6 (0.34) PTK6TTKP2RX3MAPKAPK5CDK2
SCHEMBL22123047 0.94 MAPKAPK5 (0.35) PTK6TTKP2RX3MAPKAPK5CDK2
SCHEMBL22122966 0.94 P2RX3 (0.36) PTK6TTKP2RX3MAPKAPK5CDK2
SCHEMBL22123470 0.94 MAPKAPK5 (0.34) PTK6TTKP2RX3MAPKAPK5CDK2
Hydrochloric Acid SCHEMBL30171953 0.94 MAPKAPK5 (0.34) PTK6TTKP2RX3MAPKAPK5CDK2
SCHEMBL22122968 0.94 MAPKAPK5 (0.35) PTK6TTKP2RX3MAPKAPK5CDK2
Hydrochloric Acid SCHEMBL25170362 0.93 MAPKAPK5 (0.34) PTK6TTKP2RX3MAPKAPK5CDK2
SCHEMBL30385985 0.93 CDK2 (0.37) PTK6TTKP2RX3MAPKAPK5CDK2
SCHEMBL22124784 0.92 P2RX3 (0.35) PTK6TTKP2RX3MAPKAPK5CDK2
SCHEMBL24112433 0.92 SYK (0.36) PTK6TTKMAPKAPK5

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
WO-2021249896-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — WO disclosed
Send feedback