SCHEMBL30907308

SCHEMBL30907308

CCCC(=O)c1cc(C)c(-c2cnc3cc(Cl)ncc3c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.39
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
AGPAT2 O15120 1/20 0.31
MELK Q14680 1/20 0.31
GCGR P47871 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
SCHEMBL30907125 0.91 ABL1 (0.42) ABL1AGPAT2PDGFRBPDGFRA
SCHEMBL30907424 0.91 ABL1 (0.42) ABL1AGPAT2PDGFRBPDGFRA
SCHEMBL30907451 0.86 ABL1 (0.39) ABL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL30907372 0.84 ABL1 (0.42) ABL1
SCHEMBL30907414 0.84 GABRA1 (0.36) ABL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL30907111 0.84 ABL1 (0.43) ABL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL30907661 0.83 GABRA1 (0.34) ABL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL30907381 0.82 ABL1 (0.32) ABL1PDGFRBPDGFRA
SCHEMBL30907510 0.81 GABRA1 (0.33) ABL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL30907570 0.81 DHFR (0.37) ABL1GABRA1GABRG2GABRB3GABRA5

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