SCHEMBL2471310

SCHEMBL2471310

COC(=O)c1cc(-c2ccc(C)nc2)nc2c3ccc(N4CCSCC4(O)O)cc3n(Cc3ccc(OC)cc3)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GRM2 Q14416 1/20 0.34
JAK2 O60674 1/20 0.34
PIK3CD O00329 2/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
BCHE P06276 1/20 0.33
PDE1B Q01064 2/20 0.33
P2RX7 Q99572 2/20 0.32
PDE10A Q9Y233 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
CASP1 P29466 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL144259 0.83 JAK2 (0.42) PLA2G2APTGDR2JAK2PIK3CDPIK3CB
SCHEMBL144258 0.83 HDAC1 (0.37) PLA2G2APTGDR2GRM2JAK2PIK3CD
SCHEMBL143205 0.82 PLA2G2A (0.49) PLA2G2APTGDR2GRM2PIK3CDPIK3CB
SCHEMBL2465635 0.78 JAK2 (0.54) JAK2
SCHEMBL109351 0.75 L3MBTL1 (0.41) PLA2G2APTGDR2GAATSHR
SCHEMBL170380 0.72 PDE1B (0.41) JAK2PDE1B
SCHEMBL2468250 0.70 JAK2 (0.65) JAK2
SCHEMBL143786 0.70 JAK2 (0.52) PLA2G2AJAK2ALDH1A1HPGDCASP1
SCHEMBL142075 0.70 PLA2G2A (0.46) PLA2G2AJAK2KDM4EALDH1A1HPGD
SCHEMBL141523 0.69 PLA2G2A (0.47) PLA2G2AJAK2KDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO disclosed