SCHEMBL2946209

SCHEMBL2946209

Cc1cc(C#CCN2CCOCC2)ccc1-n1cnc2c(N)nc(N)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
MMP13 P45452 1/20 0.36
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
EGFR P00533 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
CSF1R P07333 1/20 0.34
MAPK14 Q16539 2/20 0.33
PIK3CD O00329 1/20 0.33
BCHE P06276 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 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
SCHEMBL2955288 0.82 TLR7 (0.42) CDK1CCNB1CCNE1CDK2PI4KA
SCHEMBL2952316 0.79 NPC1 (0.51) BCHEMAOAACHEMAOBSRC
SCHEMBL2951937 0.78 DHFR (0.45) CDK1CCNB1CCNE1CDK2PI4KA
SCHEMBL2955191 0.73 LMNA (0.45) TLR8MMP13EGFRCSF1RMAPK14
SCHEMBL3707475 0.71 LMNA (0.49) MMP13EGFRCSF1R
SCHEMBL2953607 0.71 TLR7 (0.44) CDK1CCNB1CCNE1CDK2PTPN1
SCHEMBL2950165 0.71 TLR7 (0.41) CDK1CCNB1CCNE1CDK2PI4KA
SCHEMBL2952950 0.70 DHFR (0.43)
SCHEMBL2953257 0.69 CDK1 (0.42) TLR8CDK1CCNB1CCNE1CDK2
SCHEMBL2946049 0.69 DHFR (0.42) CDK1CCNB1CCNE1CDK2CSNK1D

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed