Sugi Predict

Sugi Predict / Compounds / SCHEMBL4636083

SCHEMBL4636083

SCHEMBL4636083

CC1CCN(c2ncnc3ccc(C=C4SC(=O)NC4=O)cc23)CC1.O=C1NC(=O)C(=Cc2ccc3ncnc(N4CCC(OC(=O)C5CCN(c6ncnc7ccc(C=C8SC(=O)NC8=O)cc67)CC5)CC4)c3c2)S1.O=C1NC(=O)C(=Cc2ccc3ncnc(N4CCCC(C(=O)O)C4)c3c2)S1.O=C1NC(=O)C(=Cc2ccc3ncnc(N4CCCC4C(=O)O)c3c2)S1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.39
▸ HPGD P15428 14/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6385644 0.97 DYRK1A (0.41) DYRK1AHPGDALDH1A1CYP1A2CLK4
SCHEMBL6254891 0.84 MAPK1 (0.49) DYRK1AHPGDALDH1A1CYP1A2CLK4
SCHEMBL2882769 0.83 DYRK1A (0.52) DYRK1AHPGDPIK3CD
SCHEMBL2882765 0.83 DYRK1A (0.52) DYRK1AHPGDPIK3CD
SCHEMBL12975503 0.83 DYRK1A (0.52) DYRK1AHPGDPIK3CD
SCHEMBL2881919 0.82 PIK3CD (0.47) DYRK1AHPGDPIK3CDHSD17B10
SCHEMBL2881916 0.82 PIK3CD (0.47) DYRK1AHPGDPIK3CDHSD17B10
SCHEMBL12975468 0.82 PIK3CD (0.47) DYRK1AHPGDPIK3CDHSD17B10
SCHEMBL12975464 0.79 PIK3CD (0.51) DYRK1AHPGDALDH1A1CYP1A2CLK4
SCHEMBL2877240 0.79 PIK3CD (0.51) DYRK1AHPGDALDH1A1CYP1A2CLK4

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-1931424-A2 P13K INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2008-06-18 — — EP disclosed
WO-2007030360-A2 P13K INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2007-03-15 — — WO disclosed