SCHEMBL19488787

SCHEMBL19488787

C#Cc1ccc2c(ccc3nc([C@@H]4C(=C)CCN4C(=O)OC(C)(C)C)[nH]c32)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA6 Q16445 3/20 0.35
GABRA1 P14867 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRA4 P48169 2/20 0.34
GABRA3 P34903 1/20 0.34
JAK1 P23458 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRM5 P41594 2/20 0.31
CHEK2 O96017 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10201488 0.83 L3MBTL1 (0.40) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL10201148 0.80 GABRG2 (0.35) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL12373604 0.79 GABRG2 (0.35) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL19488569 0.77 MAPK1 (0.31)
SCHEMBL12295805 0.77 GABRG2 (0.35) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL10200232 0.77 GABRG2 (0.35) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL19488632 0.76 MEN1 (0.37) GRM5MEN1KMT2A
SCHEMBL10201154 0.76 GABRG2 (0.34) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL19488864 0.74 MEN1 (0.36) GRM5MEN1KMT2A
SCHEMBL19488328 0.74 CHEK2 (0.42) CHEK2

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
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed