SCHEMBL30007420

SCHEMBL30007420

Cc1cc2cc(C(=O)NCC(O)(c3cc(C(C)(C)O)c(Cl)c(-c4ccc(F)cc4)n3)C(F)(F)F)cc(OC(F)(F)F)c2nn1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
SCN9A Q15858 1/20 0.32
RORC P51449 1/20 0.32
GABRA5 P31644 1/20 0.32
GCGR P47871 3/20 0.31
GIPR P48546 1/20 0.31
NAMPT P43490 2/20 0.31
ULK1 O75385 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
DDR1 Q08345 1/20 0.30

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
SCHEMBL25687385 1.00 CFTR (0.36) CFTRADORA2AADORA2BADORA1SCN9A
SCHEMBL23958811 1.00 CFTR (0.36) CFTRADORA2AADORA2BADORA1SCN9A
SCHEMBL25687310 0.93 CFTR (0.39) CFTRADORA2AADORA2BADORA1SCN9A
SCHEMBL23958707 0.93 CFTR (0.39) CFTRADORA2AADORA2BADORA1SCN9A
SCHEMBL25687415 0.87 CFTR (0.40) CFTRMAPT
SCHEMBL25686197 0.86 CFTR (0.40) CFTRADORA2AADORA2BADORA1SCN9A
SCHEMBL30211296 0.86 CFTR (0.40) CFTRADORA2AADORA2BADORA1SCN9A
SCHEMBL25687518 0.86 CFTR (0.40) CFTRADORA2AADORA2BADORA1SCN9A
SCHEMBL25284674 0.86 CFTR (0.38) CFTRSCN9AMAPT
SCHEMBL25687304 0.86 CFTR (0.38) CFTRSCN9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 CN disclosed