SCHEMBL21751548

SCHEMBL21751548

C[C@@H]1CN(c2ccccc2C(N)=O)c2cc3cc[nH]c3nc2O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 2/20 0.35
▸ PRKCQ Q04759 2/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ PARP1 P09874 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CCNH P51946 1/20 0.33
▸ MNAT1 P51948 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ BCL2 P10415 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL30075016 1.00 PRKCA (0.35) PRKCAPRKCQPDPK1PARP1NPC1
SCHEMBL29722758 1.00 PRKCA (0.35) PRKCAPRKCQPDPK1PARP1NPC1
SCHEMBL30106040 0.90 PRKCA (0.37) PRKCAPRKCQPDPK1PARP1NPC1
SCHEMBL30075002 0.90 PRKCA (0.37) PRKCAPRKCQPDPK1PARP1NPC1
SCHEMBL30106037 0.90 PRKCA (0.37) PRKCAPRKCQPDPK1PARP1NPC1
SCHEMBL30364950 0.86 PDPK1 (0.33) PDPK1PARP1NPC1NUDT1CCNT1
SCHEMBL23579454 0.84 OPRM1 (0.33) PDPK1NPC1NUDT1CCNT1CCND1
SCHEMBL23165655 0.84 OPRM1 (0.33) PDPK1NPC1NUDT1CCNT1CCND1
SCHEMBL23579445 0.84 OPRM1 (0.33) PDPK1NPC1NUDT1CCNT1CCND1
SCHEMBL23579437 0.82 ALOX5AP (0.34) PDPK1NUDT1SCN9AOPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4110298-A1 HOT MELT EXTRUDED SOLID DISPERSIONS CONTAINING A BCL2 INHIBITOR Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2023-01-04 — — EP claimed
CN-114929689-B Bcl-2 inhibitors 百济神州有限公司 2024-08-27 — — CN disclosed
EP-4110298-A1 HOT MELT EXTRUDED SOLID DISPERSIONS CONTAINING A BCL2 INHIBITOR Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2023-01-04 — — EP disclosed
EP-4051676-A1 BCL-2 INHIBITORS BeiGene, Ltd. (KY) 2022-09-07 — — EP 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
WO-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 — — WO disclosed
WO-2020041405-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 — — WO disclosed
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