SCHEMBL29908855

SCHEMBL29908855

NC(=O)c1cccn(-c2cccc(F)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
ABL1 P00519 1/20 0.41
MET P08581 1/20 0.41
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
MAPK14 Q16539 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
TYK2 P29597 1/20 0.40
LMNA P02545 1/20 0.40
NOTUM Q6P988 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RPS6KB1 P23443 1/20 0.39

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
SCHEMBL15328279 0.84 MAPK1 (0.55) PARP1MAPK1L3MBTL1POLBTHRB
SCHEMBL1161158 0.83 TYK2 (0.50) MAPK1ALDH1A1METAXLTYRO3
Hydrochloric Acid SCHEMBL23071632 0.82 TYK2 (0.49) MAPK1ALDH1A1METAXLTYRO3
SCHEMBL5510400 0.82 ALDH1A1 (0.51) PARP1MAPK1ALDH1A1LMNANOTUM
SCHEMBL29815065 0.82 ALDH1A1 (0.51) PARP1MAPK1ALDH1A1LMNANOTUM
SCHEMBL1396731 0.81 MAPK1 (0.58) PARP1MAPK1ALDH1A1L3MBTL1AXL
SCHEMBL29908864 0.80 KDM4E (0.51) PARP1ALDH1A1MGLLKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL29908833 0.80 MAPK1 (0.56) PARP1MAPK1ALDH1A1L3MBTL1AXL
SCHEMBL16812361 0.78 POLB (0.47) ALDH1A1L3MBTL1FAAHMGLLPOLB
SCHEMBL15328201 0.77 MAPK1 (0.47) PARP1MAPK1ALDH1A1ABL1MAPK14

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
CN-111295386-B Thienopyridine derivatives and pharmaceutical compositions containing the same 伟迈可生物有限公司 2022-09-06 CN claimed
CN-116685324-A Pharmaceutical composition for preventing or treating pancreatic cancer associated with RON mutation and method of using the same 伟迈可生物有限公司 2023-09-01 CN disclosed
CN-116390729-A Pharmaceutical composition for preventing or treating non-small cell lung cancer associated with RON mutation and method of using the same 伟迈可生物有限公司 2023-07-04 CN disclosed
CN-115916210-A Pharmaceutical composition for preventing or treating small cell lung cancer associated with RON mutation and method of using the same 伟迈可生物有限公司 2023-04-04 CN disclosed
CN-115209900-A Pharmaceutical composition for preventing or treating cancer in which KRAS mutation and activated RON are present 伟迈可生物有限公司 2022-10-18 CN disclosed
CN-115003307-A Pharmaceutical composition for preventing or treating cancers associated with KRAS mutations 伟迈可生物有限公司 2022-09-02 CN disclosed