SCHEMBL31423916

SCHEMBL31423916

C[C@@H](CF)Nc1nc2c(N3CCC(F)(F)C3)c(-c3cn[nH]c3)ncn2n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.33
AURKB Q96GD4 3/20 0.32
CHEK1 O14757 2/20 0.32
LCK P06239 2/20 0.32
KDR P35968 2/20 0.32
FLT3 P36888 2/20 0.32
EPHB4 P54760 2/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
LRRK2 Q5S007 1/20 0.32
MAP3K12 Q12852 1/20 0.31
CNR1 P21554 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
SCHEMBL31423995 0.83 JAK2 (0.36) CNR2
SCHEMBL31423900 0.79
SCHEMBL31423888 0.79
SCHEMBL31423965 0.78 MAPK8 (0.33)
SCHEMBL31423929 0.77
SCHEMBL31423893 0.77
SCHEMBL31423976 0.76 MAPK8 (0.32)
SCHEMBL31423988 0.76 MAPK8 (0.32)
SCHEMBL31423901 0.76 MAPK8 (0.32)
SCHEMBL31423908 0.76 MAPK8 (0.32)

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