SCHEMBL30907615

SCHEMBL30907615

CCCC(=O)c1cc(C)c(-c2cc3cnc(N)cc3cn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.38
GABRG2 P18507 5/20 0.38
GABRB3 P28472 5/20 0.38
GABRA5 P31644 5/20 0.38
GABRA3 P34903 5/20 0.38
GABRA2 P47869 5/20 0.38
GABRP O00591 4/20 0.38
GABRD O14764 4/20 0.38
GABRB1 P18505 4/20 0.38
GABRB2 P47870 4/20 0.38
GABRA4 P48169 4/20 0.38
GABRE P78334 4/20 0.38
GABRA6 Q16445 4/20 0.38
GABRG1 Q8N1C3 4/20 0.38
GABRG3 Q99928 4/20 0.38
GABRQ Q9UN88 4/20 0.38
MAP4K1 Q92918 2/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 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
SCHEMBL30907314 0.90 ABL1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30907624 0.84 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30907569 0.81 ABL1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30907451 0.80 ABL1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30907457 0.78 ABL1 (0.61) MAP4K1ABL1
SCHEMBL30907489 0.77 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29977900 0.77 SRC (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30907521 0.75 ABL1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30907529 0.75 ABL1 (0.57) ABL1
SCHEMBL30780116 0.74 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3

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