SCHEMBL29476232

SCHEMBL29476232

COC(=O)c1cc(C(F)(F)F)c(-c2cc(Cl)c(F)cc2F)cc1N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.52
MAPT P10636 3/20 0.42
ABL1 P00519 1/20 0.42
KDM4E B2RXH2 5/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 4/20 0.37
ALPL P05186 1/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NOTUM Q6P988 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
NQO2 P16083 1/20 0.34

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
SCHEMBL23540410 1.00 CFTR (0.52) CFTRMAPTABL1KDM4EGAA
SCHEMBL23539774 0.86 GAA (0.48) CFTRMAPTABL1KDM4EGAA
SCHEMBL29476391 0.86 GAA (0.48) CFTRMAPTABL1KDM4EGAA
SCHEMBL25328269 0.85 CFTR (0.45) CFTRKDM4EGAAALDH1A1HPGD
SCHEMBL23557174 0.84 ABL1 (0.44) CFTRMAPTABL1KDM4EGAA
SCHEMBL29654580 0.83 CFTR (0.55) CFTRMAPTABL1KDM4EGAA
SCHEMBL24525042 0.83 CFTR (0.55) CFTRMAPTABL1KDM4EGAA
SCHEMBL29476340 0.82 CFTR (0.51) CFTRMAPTABL1KDM4EGAA
SCHEMBL23540452 0.82 CFTR (0.51) CFTRMAPTABL1KDM4EGAA
SCHEMBL23539849 0.82 ALDH1A1 (0.40) CFTRMAPTKDM4EALDH1A1ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217071-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2023-08-02 EP disclosed
WO-2022066805-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-03-31 WO disclosed