SCHEMBL28058779

SCHEMBL28058779

CC(C)(C)OC(=O)c1ncc(Br)nc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.36
PLAU P00749 2/20 0.34
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRA6 Q16445 3/20 0.33
GABRB2 P47870 2/20 0.33
HPGDS O60760 1/20 0.33
MAPKAPK2 P49137 3/20 0.33
GABRA4 P48169 2/20 0.33
LMNA P02545 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRE P78334 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
SCHEMBL27796415 0.89 ATR (0.47) ATRGRM5ALDH1A1GABRA1GABRG2
SCHEMBL2036467 0.84 MAPKAPK2 (0.42) PLAUGRM5ALDH1A1MAPKAPK2DHFR
SCHEMBL19360576 0.84 CNR1 (0.34) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL25399004 0.81 NPSR1 (0.47) ATRPLAUGRM5ALDH1A1KDM4E
SCHEMBL7406650 0.76 GABRA1 (0.37) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL15684383 0.76 GABRA5 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17202771 0.75 CA12 (0.33) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL28251522 0.74 CA12 (0.35) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL17318254 0.74 USP30 (0.40) MAPKAPK2
SCHEMBL29512310 0.73 PLAU (0.40) PLAUALDH1A1GABRA1GABRG2GABRB3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113950479-A Solid forms of condensed pyrazines as SYK inhibitors 克洛诺斯生物股份有限公司 2022-01-18 CN disclosed
CN-105555780-B SYK inhibitors 吉利德科学公司 2018-01-23 CN disclosed
CN-106572999-A SYK inhibitors 吉利德科学公司 2017-04-19 CN disclosed
CN-105555780-A Syk inhibitors GILEAD SCIENCES INC 2016-05-04 CN disclosed