SCHEMBL2466263

SCHEMBL2466263

O=c1ccn(-c2ccccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
EP300 Q09472 1/20 0.47
KAT2B Q92831 1/20 0.47
PLD1 Q13393 1/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
CRBN Q96SW2 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 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
SCHEMBL30569109 0.82 PLD1 (0.50) SMN1; SMN2EP300KAT2BPLD1GAA
SCHEMBL1437298 0.82 PLD1 (0.50) SMN1; SMN2EP300KAT2BPLD1GAA
Ammonia Solution, Strong SCHEMBL28277848 0.80 PLD1 (0.48) SMN1; SMN2EP300KAT2BPLD1GAA
SCHEMBL31748642 0.73 RPS6KA5 (0.41) CLK4COMT
SCHEMBL718706 0.72 SMN1; SMN2 (0.62) SMN1; SMN2EP300KAT2BPLD1GAA
SCHEMBL5100117 0.72 GRM5 (0.47) SMN1; SMN2EP300KAT2BPLD1GAA
SCHEMBL28379997 0.71 SMN1; SMN2 (0.55) SMN1; SMN2EP300KAT2BPLD1GAA
SCHEMBL11117869 0.71 POLB (0.47) SMN1; SMN2EP300KAT2BPLD1GAA
SCHEMBL29760726 0.71 SMN1; SMN2 (0.60) SMN1; SMN2EP300KAT2BPLD1GAA
SCHEMBL29401947 0.71 CYP3A4 (0.55) KDM4EALDH1A1MAPK1CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698131-A Pool construction method for water supply of water tower 中地国际工程有限公司 2020-01-17 CN claimed
CN-117088884-A Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-21 CN disclosed
CN-110698131-A Pool construction method for water supply of water tower 中地国际工程有限公司 2020-01-17 CN disclosed
CN-110698131-A Pool construction method for water supply of water tower 中地国际工程有限公司 2020-01-17 CN disclosed
EP-2542076-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS Merck Sharp & Dohme Corp. (US) 2013-01-09 EP disclosed
WO-2011109254-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
CN-101018796-A Metal complex, light-emitting solid, organic EL element, and organic EL display FUJI FILM CORP (JP) 2007-08-15 CN disclosed
US-4976774-A Electromic displays, indicators THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 1990-12-11 US disclosed
US-4976774-A Electromic displays, indicators THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 1990-12-11 US disclosed