SCHEMBL1113685

SCHEMBL1113685

Cn1cnc2c(C3CNCCO3)nc(Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.45
YTHDC1 Q96MU7 1/20 0.43
CHEK1 O14757 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 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
SCHEMBL7942550 0.78 SLC6A3 (0.38)
SCHEMBL28595968 0.75 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1
SCHEMBL28591880 0.75 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1
SCHEMBL7930899 0.74
SCHEMBL28673967 0.68 YTHDC1 (0.37) YTHDC1
SCHEMBL2725279 0.68
SCHEMBL11148023 0.67
SCHEMBL28932240 0.67 SSTR4 (0.34)
SCHEMBL28371325 0.67 SLC6A3 (0.39)
SCHEMBL2421840 0.66 SLC6A3 (0.39)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279188-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
WO-2009146406-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-12-03 WO disclosed