SCHEMBL23579290

SCHEMBL23579290

NC(=O)c1ccccc1N1c2cc3cc[nH]c3nc2O[C@@H]2COCC[C@H]21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ PDPK1 O15530 1/20 0.31
▸ NUDT1 P36639 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ CCND1 P24385 1/20 0.30
▸ CCNC P24863 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ CDK7 P50613 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ CCNH P51946 1/20 0.30

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
SCHEMBL23579340 1.00 GRM5 (0.33) GRM5JAK2JAK1ALOX5APFEN1
SCHEMBL25284683 1.00 GRM5 (0.33) GRM5JAK2JAK1ALOX5APFEN1
SCHEMBL29747346 0.94 JAK2 (0.35) JAK2JAK1ALOX5APFEN1TYK2
SCHEMBL23165491 0.93 PDPK1 (0.33) ALOX5APFEN1PDPK1NUDT1NPC1
SCHEMBL23578829 0.93 PDPK1 (0.33) ALOX5APFEN1PDPK1NUDT1NPC1
SCHEMBL23579437 0.83 ALOX5AP (0.34) JAK2JAK1ALOX5APFEN1TYK2
SCHEMBL23579986 0.83 ALOX5AP (0.34) JAK2JAK1ALOX5APFEN1TYK2
SCHEMBL23578855 0.83 ALOX5AP (0.34) JAK2JAK1ALOX5APFEN1TYK2
SCHEMBL23579454 0.80 OPRM1 (0.33) ALOX5APFEN1PDPK1NUDT1NPC1
SCHEMBL23579445 0.80 OPRM1 (0.33) ALOX5APFEN1PDPK1NUDT1NPC1

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
WO-2022140224-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. (US) 2022-06-30 — — WO disclosed
WO-2021133817-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2021-07-01 — — WO disclosed
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