SCHEMBL30907409

SCHEMBL30907409

CCC(=O)c1cc(C)c(-c2cc3cnc(N)cc3cc2C#N)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.36
ABL1 P00519 5/20 0.35
GABRP O00591 3/20 0.34
GABRD O14764 3/20 0.34
GABRA1 P14867 3/20 0.34
GABRB1 P18505 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRA3 P34903 3/20 0.34
GABRA2 P47869 3/20 0.34
GABRB2 P47870 3/20 0.34
GABRA4 P48169 3/20 0.34
GABRE P78334 3/20 0.34
GABRA6 Q16445 3/20 0.34
GABRG1 Q8N1C3 3/20 0.34
GABRG3 Q99928 3/20 0.34
GABRQ Q9UN88 3/20 0.34
KDM4E B2RXH2 5/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL30907460 0.83 ABL1 (0.37) MAP4K1ABL1KDM4EHSD17B10
SCHEMBL30907314 0.80 ABL1 (0.39) MAP4K1ABL1GABRPGABRDGABRA1
SCHEMBL30907426 0.77 ABL1 (0.50) MAP4K1ABL1
SCHEMBL30907149 0.77 ABL1 (0.50) MAP4K1ABL1
SCHEMBL30907326 0.77 ABL1 (0.47) MAP4K1ABL1
SCHEMBL30907655 0.77 FGFR1 (0.40) ABL1GABRPGABRDGABRA1GABRB1
SCHEMBL30907529 0.77 ABL1 (0.57) ABL1
SCHEMBL30907139 0.75 FGFR1 (0.39) ABL1GABRPGABRDGABRA1GABRB1
SCHEMBL30780262 0.74 ABL1 (0.37) ABL1
SCHEMBL27153696 0.74 ABL1 (0.37) 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