SCHEMBL6424772

SCHEMBL6424772

CCN(CC)CCN.O=C1Cc2ccc(-c3cccnc3)cc2N1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.58
CYP11B2 P19099 13/20 0.58
CYP1A2 P05177 4/20 0.58
TDP2 O95551 2/20 0.53
CYP2C9 P11712 2/20 0.48
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
TBXAS1 P24557 1/20 0.48
CYP19A1 P11511 3/20 0.43
CRBN Q96SW2 2/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3659028 0.84 CYP11B1 (0.79) CYP11B1CYP11B2CYP1A2TDP2CYP2C9
SCHEMBL29899622 0.84 CYP11B1 (0.79) CYP11B1CYP11B2CYP1A2TDP2CYP2C9
SCHEMBL7648230 0.81 AHR (0.47) TDP2CRBN
SCHEMBL29849827 0.74 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2TDP2CYP2C9
SCHEMBL29899595 0.74 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2TDP2CYP2C9
SCHEMBL29849907 0.74 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2TDP2CYP2C9
SCHEMBL748904 0.74 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2TDP2CYP2C9
SCHEMBL28610367 0.71 CYP11B1 (0.56) CYP11B1CYP11B2CYP1A2TDP2CYP2C9
SCHEMBL7651128 0.70 CRBN (0.47) TDP2CRBN
SCHEMBL6746651 0.70 CYP11B1 (0.55) CYP11B1CYP11B2CYP1A2TDP2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427326-A4 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN INC (US) 2005-06-08 EP disclosed
EP-1427326-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER Sugen, Inc. (US) 2004-06-16 EP disclosed
WO-2003015608-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN, INC. (US) 2003-02-27 WO disclosed