SCHEMBL29654580

SCHEMBL29654580

COC(=O)c1cc(C(F)(F)F)c(-c2ccc(F)c(Cl)c2)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.55
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
ABL1 P00519 1/20 0.46
SCN9A Q15858 2/20 0.41
MAPT P10636 2/20 0.41
NOTUM Q6P988 1/20 0.41
PDK2 Q15119 1/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
MEN1 O00255 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
SLC6A4 P31645 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
SCHEMBL24525042 1.00 CFTR (0.55) CFTRSLC1A3SLC1A2SLC1A1ABL1
SCHEMBL29654654 0.84 CFTR (0.50) CFTRSLC1A3SLC1A2SLC1A1ABL1
SCHEMBL24525040 0.84 ABL1 (0.49) CFTRSLC1A3SLC1A2SLC1A1ABL1
SCHEMBL24525035 0.84 CFTR (0.50) CFTRSLC1A3SLC1A2SLC1A1ABL1
SCHEMBL29476183 0.84 CFTR (0.60) CFTRABL1MAPTCASP3SENP7
SCHEMBL23540424 0.84 CFTR (0.60) CFTRABL1MAPTCASP3SENP7
SCHEMBL29476232 0.83 CFTR (0.52) CFTRABL1MAPTNOTUMPDGFRB
SCHEMBL23540410 0.83 CFTR (0.52) CFTRABL1MAPTNOTUMPDGFRB
SCHEMBL24524870 0.83 ABL1 (0.44) CFTRSLC1A3SLC1A2SLC1A1ABL1
SCHEMBL29654471 0.83 ABL1 (0.44) CFTRSLC1A3SLC1A2SLC1A1ABL1

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
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 WO disclosed