SCHEMBL19783554

SCHEMBL19783554

COCc1cnc2c(C)nc(C)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
GRM5 P41594 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
GLA P06280 1/20 0.33
MAOA P21397 1/20 0.33
DYRK1A Q13627 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
CA2 P00918 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE10A Q9Y233 1/20 0.30
POLB P06746 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
SCHEMBL30189775 0.83 KDM4E (0.34) LMNAGRM5CYP11B1CYP11B2KDM4E
SCHEMBL30189706 0.83 PDE10A (0.33) LMNAGRM5CYP11B1CYP11B2KDM4E
SCHEMBL19783559 0.83 KDM4E (0.34) LMNAGRM5CYP11B1CYP11B2KDM4E
SCHEMBL19782543 0.83 PDE10A (0.33) LMNAGRM5CYP11B1CYP11B2KDM4E
SCHEMBL19783328 0.76 L3MBTL1 (0.44) LMNAALDH1A1HPGDPOLB
SCHEMBL30189767 0.76 L3MBTL1 (0.44) LMNAALDH1A1HPGDPOLB
SCHEMBL19782862 0.76 CCR1 (0.34) LMNAGRM5CYP11B1CYP11B2ALDH1A1
SCHEMBL30189953 0.76 CCR1 (0.34) LMNAGRM5CYP11B1CYP11B2ALDH1A1
SCHEMBL19783287 0.73 CCR1 (0.33) LMNAGRM5CYP11B1CYP11B2KDM4E
SCHEMBL30189704 0.73 CCR1 (0.33) LMNAGRM5CYP11B1CYP11B2KDM4E

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-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed