SCHEMBL31423901

SCHEMBL31423901

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30
PTK2 Q05397 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
SCHEMBL31423965 0.91 MAPK8 (0.33) MAPK8JAK2JAK3PTK2
SCHEMBL31423908 0.89 MAPK8 (0.32) MAPK8JAK2JAK3PTK2
SCHEMBL31423988 0.89 MAPK8 (0.32) MAPK8JAK2JAK3PTK2
SCHEMBL31423976 0.89 MAPK8 (0.32) MAPK8JAK2JAK3PTK2
SCHEMBL31423953 0.86 IDH1 (0.33) MAPK8JAK2JAK3
SCHEMBL31423925 0.84 MAPK8 (0.31) MAPK8
SCHEMBL31423914 0.84 MAPK8 (0.31) MAPK8
SCHEMBL31423920 0.84 ATR (0.33) MAPK8JAK2JAK3PTK2
SCHEMBL31423962 0.83 MAPK8 (0.33) MAPK8JAK2JAK3PTK2
SCHEMBL31423883 0.83 MAPK8 (0.33) MAPK8JAK2JAK3PTK2

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