SCHEMBL3405385

SCHEMBL3405385

C=Cc1nc(CC)[nH]c1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.42
ADORA1 P30542 4/20 0.38
ADORA3 P0DMS8 3/20 0.38
ADORA2A P29274 2/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
NEK2 P51955 3/20 0.34
DDAH1 O94760 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 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
SCHEMBL2033187 0.79 ALK (0.46) ALKADORA1ADORA3ADORA2ATP53
SCHEMBL3406784 0.73
SCHEMBL3401142 0.71 TP53 (0.41) ADORA1ADORA3ADORA2ATP53L3MBTL1
SCHEMBL9798266 0.71 ADORA3 (0.39) ADORA1ADORA3ADORA2A
SCHEMBL9798271 0.71 ADORA1 (0.46) ADORA1ADORA3ADORA2ACDK1CCNB1
SCHEMBL2020536 0.70
SCHEMBL3708487 0.69 ADORA1 (0.43) ALKADORA1ADORA3ADORA2ATP53
SCHEMBL443983 0.67 ADORA1 (0.41) ALKADORA1ADORA3ADORA2ATP53
SCHEMBL27886779 0.67
SCHEMBL3813547 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252664-A1 ENCAPSULATED NANOSCALE PARTICLES OF ORGANIC PIGMENTS Xerox Corporation (US) 2010-11-24 EP disclosed
WO-2009126388-A1 ENCAPSULATED NANOSCALE PARTICLES OF ORGANIC PIGMENTS XEROX CORPORATION (US) 2009-10-15 WO disclosed
EP-0828762-A1 WATER-SOLUBLE COPOLYMERS CONTAINING POLYMERIZED-IN CROSS-LINKING AGENTS, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-03-18 EP disclosed
EP-0828763-A1 POLYMER AND SURFACTANT MIXTURES, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-03-18 EP disclosed
EP-0765379-A1 COLOR MIGRATION INHIBITORS FOR WASHING AND CLEANING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed
WO-1996037525-A1 WATER-SOLUBLE COPOLYMERS CONTAINING POLYMERIZED-IN CROSS-LINKING AGENTS, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-11-28 WO disclosed
WO-1996037598-A1 DYE TRANSFER INHIBITORS FOR DETERGENTS CONTAINING BLEACHING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-11-28 WO disclosed
WO-1996037524-A1 POLYMER AND SURFACTANT MIXTURES, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-11-28 WO disclosed
EP-0731813-A1 POLYMERS OF ALKYL-1-VINYLIMIDAZOLES BASF AG (DE) 1996-09-18 EP disclosed
WO-1995035360-A1 COLOR MIGRATION INHIBITORS FOR WASHING AND CLEANING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1995-12-28 WO disclosed
WO-1995015345-A1 POLYMERS OF ALKYL-1-VINYLIMIDAZOLES BASF AKTIENGESELLSCHAFT (DE) 1995-06-08 WO disclosed