SCHEMBL29396394

SCHEMBL29396394

CNC(=O)c1cccc(F)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
GRM4 Q14833 5/20 0.51
CTSA P10619 2/20 0.48
CLK1 P49759 1/20 0.45
CLK2 P49760 1/20 0.45
P2RX7 Q99572 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
GRM5 P41594 1/20 0.42
PLK1 P53350 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
SCHEMBL19898227 1.00 BRD4 (0.54) BRD4GRM4CTSACLK1CLK2
Formic Acid SCHEMBL30925240 0.93 BRD4 (0.49) BRD4GRM4CTSACLK1CLK2
SCHEMBL31224250 0.87 GRM4 (0.48) BRD4GRM4CTSACLK1CLK2
SCHEMBL8403540 0.86 BRD4 (0.62) BRD4P2RX7GAAPOLBMAPT
SCHEMBL108143 0.81 P2RX7 (0.62) GRM4CTSAP2RX7GAAPOLB
SCHEMBL31514785 0.80 CTSA (0.54) GRM4CTSACLK1CLK2MAPT
SCHEMBL30380244 0.78 KDM4E (0.68) BRD4POLBPTGS1PTGS2
SCHEMBL10289971 0.78 BRD4 (0.56) BRD4P2RX7GAAPOLBMAPT
SCHEMBL8300009 0.78 P2RX7 (0.70) BRD4CTSAP2RX7POLBMAPT
SCHEMBL16987892 0.78 BRD4 (0.56) BRD4P2RX7GAAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452256-B1 METHODS OF TREATING BRAIN TUMOURS AND NEUROBLASTOMAS ASTRAZENECA AB (SE) 2025-12-10 EP claimed
CN-122055364-A PARP1 targeting compounds and uses thereof 成都赜灵生物医药科技股份有限公司 2026-05-15 CN disclosed
EP-4452256-B1 METHODS OF TREATING BRAIN TUMOURS AND NEUROBLASTOMAS ASTRAZENECA AB (SE) 2025-12-10 EP disclosed
CN-120092010-A Polycyclic poly (ADP-ribose) polymerase selective inhibitors 轩竹生物科技股份有限公司 2025-06-03 CN disclosed
CN-119487027-A Compounds as PARP1 inhibitors 宁波新湾科技发展有限公司 2025-02-18 CN disclosed
CN-118119629-A Nitrogen-containing heterocyclic compound and medical application thereof 中国医药研究开发中心有限公司 2024-05-31 CN disclosed
CN-117447449-A PARP1 inhibitor and application thereof 南京圣和药业股份有限公司 2024-01-26 CN disclosed
CN-116348115-A Combination of antibody-drug conjugate and PARP1 selective inhibitor 阿斯利康(英国)有限公司 2023-06-27 CN disclosed
EP-4172152-A1 QUINOXALINE DERIVATIVES AS ANTI-CANCER DRUGS Astrazeneca AB (SE) 2023-05-03 EP disclosed
CN-115768760-A Quinoxaline derivatives as anti-cancer agents 阿斯利康(瑞典)有限公司 2023-03-07 CN disclosed
EP-3999506-A1 PARP1 INHIBITORS Astrazeneca AB (SE) 2022-05-25 EP disclosed
CN-114144413-A PARP1 inhibitors 阿斯利康(瑞典)有限公司 2022-03-04 CN disclosed