SCHEMBL19787780

SCHEMBL19787780

CCC(C)(C)OC(=O)Nc1cnc(Cl)cc1C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.35
CTSK P43235 2/20 0.32
KMT2A Q03164 3/20 0.32
P2RX3 P56373 2/20 0.32
MAPKAPK2 P49137 2/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
CDK2 P24941 1/20 0.31
FLT4 P35916 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
RPS6KA3 P51812 1/20 0.31
MAPK12 P53778 1/20 0.31
CDK5 Q00535 1/20 0.31
STK3 Q13188 1/20 0.31
ROCK1 Q13464 1/20 0.31
CAMK1 Q14012 1/20 0.31
MAPKAPK3 Q16644 1/20 0.31
PRKD2 Q9BZL6 1/20 0.31

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
SCHEMBL9939369 0.87 ATR (0.46) ATRP2RX3MAPKAPK2GSK3B
SCHEMBL9649 0.79 KDM4E (0.38) KMT2AMEN1
SCHEMBL3708385 0.75 KCNQ3 (0.33) MAPKAPK2CHEK1AURKACDK2FLT4
SCHEMBL24337509 0.73 ATR (0.33) ATRKMT2AP2RX3
SCHEMBL19250103 0.73 ATR (0.41) ATRP2RX3MAPKAPK2GSK3B
SCHEMBL26441879 0.73 DPP4 (0.40) ATRP2RX3DPP4
SCHEMBL26089115 0.72 ATR (0.40) ATRP2RX3MAPKAPK2GAA
SCHEMBL13659734 0.72 ATR (0.41) ATRP2RX3MAPKAPK2
SCHEMBL8342499 0.72 ATR (0.41) ATRKMT2AGSK3BGAAMEN1
SCHEMBL16712898 0.70 ATR (0.42) ATRP2RX3MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022006550-A1 2-(INDAZOL-5-YL)-6-(PIPERIDIN-4-YL)-1,7-NAPHTHYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES REMIX THERAPEUTICS INC. (US) 2022-01-06 WO disclosed
US-RE47334-E1 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
US-9873716-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed