SCHEMBL2954446

SCHEMBL2954446

CCOc1cc(OC2CCN(CC)C2)ccc1Nc1nc(N)c2nc(C3CCCCC3)[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 8/20 0.37
AURKA O14965 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
PARP1 P09874 1/20 0.34
IGF1R P08069 2/20 0.34
CHEK1 O14757 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
KIT P10721 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ALK Q9UM73 2/20 0.33
INSR P06213 1/20 0.33
PDE7A Q13946 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK6 Q00534 1/20 0.33
BLM P54132 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
SCHEMBL4766742 0.77 TTK (0.50) TTK
SCHEMBL1911949 0.70 HRH3 (0.44) PARP1CHEK1L3MBTL1MEN1KMT2A
SCHEMBL12728606 0.70 ALK (0.53) IGF1RALKINSREGFR
SCHEMBL12781047 0.68 ALK (0.53) IGF1RALKINSR
SCHEMBL12728601 0.68 ALK (0.43) TTKAURKACCNA2CDK2IGF1R
SCHEMBL4764846 0.68 TTK (0.45) TTK
SCHEMBL12892753 0.67 ALK (0.53) IGF1RALKINSR
SCHEMBL12728604 0.67 ALK (0.53) IGF1RALKINSREGFR
SCHEMBL2953442 0.67 HRH4 (0.42) PARP1CHEK1
SCHEMBL12862605 0.67 ZAP70 (0.48) IGF1RALKINSREGFR

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