SCHEMBL21895445

SCHEMBL21895445

Nc1cccc2c(=O)[nH]cnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 1.00
AURKA O14965 1/20 0.64
DAPK3 O43293 1/20 0.64
JAK2 O60674 1/20 0.64
PRKD3 O94806 1/20 0.64
MAP4K4 O95819 1/20 0.64
PAK4 O96013 1/20 0.64
ABL1 P00519 1/20 0.64
CSF1R P07333 1/20 0.64
RET P07949 1/20 0.64
IGF1R P08069 1/20 0.64
MET P08581 1/20 0.64
PDGFRB P09619 1/20 0.64
PIM1 P11309 1/20 0.64
FGFR1 P11362 1/20 0.64
PDGFRA P16234 1/20 0.64
PRKACA P17612 1/20 0.64
FLT1 P17948 1/20 0.64
LTK P29376 1/20 0.64
GRK5 P34947 1/20 0.64

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
SCHEMBL12068009 0.79 PARP1 (0.66) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL16097896 0.78 PARP1 (0.64) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL13857872 0.78 PARP1 (0.64) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL29443212 0.78 PARP1 (1.00) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL12747755 0.78 PARP1 (0.64) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL1387233 0.78 PARP1 (0.64) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL5370073 0.78 PARP1 (1.00) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL2447579 0.78 PARP1 (1.00) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL526730 0.78 PARP1 (1.00) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL12068152 0.78 PARP1 (0.64) PARP1AURKADAPK3JAK2PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 EP disclosed
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 EP disclosed
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
EP-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 EP disclosed
WO-2020221239-A1 OXAAZAQUINAZOLINE-7(8H)-KETONE COMPOUND, PREPARATION METHOD THERFOR AND PHARMACEUTICAL APPLICATION THEREOF 劲方医药科技(上海)有限公司 2020-11-05 WO disclosed
WO-2020057546-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION 上海迪诺医药科技有限公司 2020-03-26 WO disclosed