SCHEMBL2946524

SCHEMBL2946524

CCN1CCC(COc2ccc(-c3nc4c(N)nc(N)nc4[nH]3)c(C)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.43
CHEK1 O14757 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
CDK2 P24941 2/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK4 P11802 1/20 0.36
CDK6 Q00534 1/20 0.36
CDK5 Q00535 1/20 0.36
DCPS Q96C86 1/20 0.36

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
SCHEMBL2953442 0.84 HRH4 (0.42) HRH4CHEK1JAK2JAK1JAK3
SCHEMBL2953250 0.82 CARM1 (0.40) HRH4CHEK1
SCHEMBL2952310 0.77 NPC1 (0.50) HRH4
SCHEMBL2946534 0.75 CRHR1 (0.41) CHEK1CDK2CDK1CCNB1DCPS
SCHEMBL2946218 0.74 CHEK1 (0.47) CHEK1
SCHEMBL3701226 0.73 GAA (0.49)
SCHEMBL2950517 0.70 ADORA2A (0.40) CHEK1
SCHEMBL602176 0.70 HRH4 (0.51) HRH4
SCHEMBL2955281 0.69 CAMKK2 (0.45) JAK2JAK1JAK3
SCHEMBL18639909 0.68 CHEK1 (0.44) CHEK1

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