SCHEMBL31458682

SCHEMBL31458682

Cc1n[nH]c(C)c1-c1ccn2nc(N[C@H]3CCOC[C@H]3F)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.35
MAPK1 P28482 7/20 0.34
ATR Q13535 2/20 0.34
BRD4 O60885 3/20 0.33
ABL1 P00519 1/20 0.33
BRD3 Q15059 1/20 0.31
PIK3CG P48736 1/20 0.31
MAP4K1 Q92918 1/20 0.31
CREBBP Q92793 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL31458624 0.79 MAPK1 (0.33) IRAK4MAPK1ABL1PIK3CGCREBBP
SCHEMBL25226135 0.71 CD274 (0.39) IRAK4MAPK1
SCHEMBL31458619 0.67 PIM1 (0.37) MAPK1
SCHEMBL31458620 0.67 PIM1 (0.37) MAPK1
SCHEMBL32684321 0.67 CDK4 (0.38)
SCHEMBL25221517 0.63 JAK2 (0.36) IRAK4MAPK1ATR
SCHEMBL31458578 0.62 CDK2 (0.44) MAPK1
SCHEMBL25223794 0.60 AXL (0.39) IRAK4MAPK1
SCHEMBL25197104 0.60 AXL (0.39) IRAK4MAPK1
SCHEMBL30347690 0.60 AXL (0.39) IRAK4MAPK1

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-2025096061-A1 CDK2 INHIBITORS AND USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed