SCHEMBL30907495

SCHEMBL30907495

CC(=O)c1cc(C)c(-c2cnc3cc(N)ncc3c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.42
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL30907359 0.86 ABL1 (0.42) ABL1GABRPGABRDGABRA1GABRB1
SCHEMBL30907372 0.85 ABL1 (0.42) ABL1LCKKDRJAK3MAPK14
SCHEMBL30907451 0.84 ABL1 (0.39) ABL1GABRPGABRDGABRA1GABRB1
SCHEMBL30907652 0.76 GSK3B (0.47) ABL1FGFR1
SCHEMBL30907625 0.76 ABL1 (0.56) ABL1KIT
SCHEMBL30907424 0.72 ABL1 (0.42) ABL1
SCHEMBL30907125 0.72 ABL1 (0.42) ABL1
SCHEMBL30907308 0.70 ABL1 (0.39) ABL1GABRPGABRDGABRA1GABRB1
SCHEMBL30907655 0.69 FGFR1 (0.40) ABL1GABRPGABRDGABRA1GABRB1
SCHEMBL30907529 0.69 ABL1 (0.57) ABL1

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