SCHEMBL2946534

SCHEMBL2946534

CCN1CCC(COc2ccc(-n3cnc4c(N)nc(N)nc43)c(C)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.41
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DCPS Q96C86 4/20 0.37
SRC P12931 4/20 0.37
CHEK1 O14757 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL2953453 0.84 CRHR1 (0.40) CRHR1CDK1CCNB1CCNE1CDK2
SCHEMBL2953257 0.83 CDK1 (0.42) CRHR1CDK1CCNB1CCNE1CDK2
SCHEMBL2952316 0.77 NPC1 (0.51) SRCMAOB
SCHEMBL2946524 0.75 HRH4 (0.43) CDK1CCNB1CDK2DCPSCHEK1
SCHEMBL3701226 0.74 GAA (0.49)
SCHEMBL2950165 0.71 TLR7 (0.41) CDK1CCNB1CCNE1CDK2
SCHEMBL2955288 0.70 TLR7 (0.42) CDK1CCNB1CCNE1CDK2
SCHEMBL2950527 0.69 ADORA2A (0.42) CDK1CCNB1CCNE1CDK2
SCHEMBL2951209 0.69 KDM4E (0.42) CDK1CCNB1CCNE1CDK2
SCHEMBL2951937 0.68 DHFR (0.45) CDK1CCNB1CCNE1CDK2SRC

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