SCHEMBL31423920

SCHEMBL31423920

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.33
MAPK8 P45983 1/20 0.32
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
PTK2 Q05397 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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 0.90 MAPK8 (0.33) ATRMAPK8JAK2JAK3PTK2
SCHEMBL31423883 0.88 MAPK8 (0.33) ATRMAPK8JAK2JAK3PTK2
SCHEMBL31423962 0.88 MAPK8 (0.33) ATRMAPK8JAK2JAK3PTK2
SCHEMBL31423901 0.84 MAPK8 (0.32) MAPK8JAK2JAK3PTK2
SCHEMBL31423905 0.82 MAPK8 (0.40) MAPK8JAK2JAK3PTK2MEN1
SCHEMBL31423976 0.82 MAPK8 (0.32) MAPK8JAK2JAK3PTK2
SCHEMBL31423908 0.82 MAPK8 (0.32) MAPK8JAK2JAK3PTK2
SCHEMBL31423988 0.82 MAPK8 (0.32) MAPK8JAK2JAK3PTK2
SCHEMBL31423978 0.81 JAK2 (0.37) JAK2JAK3
SCHEMBL31423886 0.80 MAPK8 (0.33) ATRMAPK8

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