SCHEMBL30907489

SCHEMBL30907489

CCCC(=O)c1cc(C)c(-c2cc3cnc4[nH]ccc4c3cn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
CIT O14578 4/20 0.38
NUDT1 P36639 2/20 0.37
AXL P30530 1/20 0.34
PRKCI P41743 1/20 0.34

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
SCHEMBL30907289 0.93 CIT (0.38) CITNUDT1AXLPRKCIJAK3
SCHEMBL30907394 0.78 CIT (0.35) CITNUDT1AXLPRKCIJAK3
SCHEMBL30907110 0.78 CIT (0.35) CITNUDT1AXLPRKCIJAK3
SCHEMBL30907449 0.78 CIT (0.35) CITNUDT1AXLPRKCIJAK3
SCHEMBL30907471 0.78 ABL1 (0.41) CITNUDT1AXLPRKCIJAK3
SCHEMBL30907101 0.78 ABL1 (0.41) CITNUDT1AXLPRKCIJAK3
SCHEMBL30907357 0.78 ABL1 (0.41) CITNUDT1AXLPRKCIJAK3
SCHEMBL30907615 0.77 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30907228 0.77 METAP2 (0.37) BRAFMAP4K1
SCHEMBL30907522 0.76 ABL1 (0.32) MAP4K1

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