SCHEMBL7880415

SCHEMBL7880415

C=C(OC(C)(C)C)N1CCC(c2cc(N)n3nccc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
GPR119 Q8TDV5 5/20 0.36
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCNK O75909 1/20 0.32

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
SCHEMBL2680236 0.87 GPR119 (0.48) CHEK1CCNA2CDK2CCNA1GPR119
SCHEMBL2679959 0.83 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1GPR119
SCHEMBL6890507 0.79 CDK2 (0.48) CHEK1CCNA2CDK2CCNA1GPR119
SCHEMBL10277723 0.79 CDK2 (0.48) CHEK1CCNA2CDK2CCNA1GPR119
SCHEMBL17787557 0.79 CHEK1 (0.43) CHEK1CCNA2CDK2CCNA1GPR119
SCHEMBL11931257 0.78 CHEK1 (0.50) CHEK1CCNA2CDK2CCNA1GPR119
SCHEMBL593655 0.78 CDK2 (0.54) CHEK1CCNA2CDK2CCNA1PDE10A
SCHEMBL7846641 0.77 CHEK1 (0.68) CHEK1CCNA2CDK2CCNA1PDE10A
SCHEMBL2680289 0.76 GPR119 (0.50) GPR119KDM4EALDH1A1HPGDNPSR1
SCHEMBL2679455 0.74 GPR119 (0.48) GPR119KDM4EALDH1A1HPGDNPSR1

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-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed