SCHEMBL30907421

SCHEMBL30907421

CCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3nc2-n2cccn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.41
MAP4K1 Q92918 3/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
KIT P10721 1/20 0.33
PDGFRA P16234 1/20 0.33
BTK Q06187 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32

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
SCHEMBL30907447 0.88 ABL1 (0.47) ABL1MAP4K1ADORA2AADORA2B
SCHEMBL30907181 0.88 ABL1 (0.47) ABL1MAP4K1ADORA2AADORA2B
SCHEMBL30907341 0.88 ABL1 (0.47) ABL1MAP4K1ADORA2AADORA2B
SCHEMBL30907368 0.83 MAP4K1 (0.45) ABL1MAP4K1
SCHEMBL30907084 0.83 GSK3B (0.36) ABL1MAP4K1ADORA2AADORA2BBTK
SCHEMBL30907609 0.81 ABL1 (0.43) ABL1MAP4K1
SCHEMBL30907425 0.81 ABL1 (0.46) ABL1MAP4K1
SCHEMBL30907153 0.80 ABL1 (0.52) ABL1MAP4K1
SCHEMBL30907322 0.80 FGFR1 (0.38) KITBTK
SCHEMBL30907390 0.80 BTK (0.34) ABL1KITBTK

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-2024097953-A1 NAPHTHYRIDINE COMPOUNDS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2024-05-10 WO disclosed