SCHEMBL2955288

SCHEMBL2955288

Cc1cc(CN2CCOCC2)ccc1-n1cnc2c(N)nc(N)nc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.42
ILK Q13418 1/20 0.41
PTPN1 P18031 2/20 0.40
PIK3CA P42336 1/20 0.39
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
PIK3CD O00329 1/20 0.37
JAK2 O60674 2/20 0.37
NCF1 P14598 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37

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
SCHEMBL2950165 0.89 TLR7 (0.41) TLR7ILKPTPN1CDK1CCNB1
SCHEMBL2953607 0.86 TLR7 (0.44) TLR7ILKPTPN1PIK3CACDK1
SCHEMBL2952316 0.82 NPC1 (0.51)
SCHEMBL2951937 0.82 DHFR (0.45) PIK3CACDK1CCNB1CCNE1CDK2
SCHEMBL2946209 0.82 TLR8 (0.37) PTPN1CDK1CCNB1CCNE1CDK2
SCHEMBL2953257 0.73 CDK1 (0.42) TLR7CDK1CCNB1CCNE1CDK2
SCHEMBL2946049 0.73 DHFR (0.42) CDK1CCNB1CCNE1CDK2
SCHEMBL2951209 0.72 KDM4E (0.42) CDK1CCNB1CCNE1CDK2PIK3CD
SCHEMBL2952950 0.71 DHFR (0.43) PIK3CAJAK2
SCHEMBL2955281 0.71 CAMKK2 (0.45) TLR7ILKPTPN1JAK2JAK1

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