SCHEMBL31423965

SCHEMBL31423965

CC(C)Oc1c(-c2cn[nH]c2)ncn2nc(N[C@@H](C)CF)nc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.33
ATR Q13535 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
ADORA1 P30542 2/20 0.31
KDM5B Q9UGL1 1/20 0.30
GRM8 O00222 1/20 0.30
GRM4 Q14833 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
SCHEMBL31423908 0.91 MAPK8 (0.32) MAPK8JAK2JAK3PTK2KDM5B
SCHEMBL31423988 0.91 MAPK8 (0.32) MAPK8JAK2JAK3PTK2KDM5B
SCHEMBL31423976 0.91 MAPK8 (0.32) MAPK8JAK2JAK3PTK2KDM5B
SCHEMBL31423901 0.91 MAPK8 (0.32) MAPK8JAK2JAK3PTK2
SCHEMBL31423920 0.90 ATR (0.33) MAPK8ATRJAK2JAK3PTK2
SCHEMBL31423925 0.88 MAPK8 (0.31) MAPK8
SCHEMBL31423914 0.88 MAPK8 (0.31) MAPK8
SCHEMBL31423981 0.88 MAPK8 (0.31) MAPK8
SCHEMBL31423962 0.88 MAPK8 (0.33) MAPK8ATRJAK2JAK3PTK2
SCHEMBL31423883 0.88 MAPK8 (0.33) MAPK8ATRJAK2JAK3PTK2

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-2025054386-A1 CDK2 INHIBITORS AND USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2025-03-13 WO disclosed