SCHEMBL29476388

SCHEMBL29476388

COC(=O)c1cc(Cl)c(-c2ccc(F)cc2F)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.48
GAA P10253 3/20 0.46
ALPL P05186 1/20 0.45
KDM4E B2RXH2 4/20 0.43
CFTR P13569 7/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK14 Q16539 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40

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
SCHEMBL23539893 1.00 ABL1 (0.48) ABL1GAAALPLKDM4ECFTR
SCHEMBL23556347 0.85 ALPL (0.46) ABL1GAAALPLKDM4ECFTR
SCHEMBL29654752 0.84 CFTR (0.56) ABL1GAAALPLKDM4ECFTR
SCHEMBL23540616 0.84 CFTR (0.56) ABL1GAAALPLKDM4ECFTR
SCHEMBL29476332 0.84 GAA (0.48) ABL1GAAALPLKDM4ECFTR
SCHEMBL29476391 0.84 GAA (0.48) ABL1GAAALPLKDM4ECFTR
SCHEMBL23539938 0.84 GAA (0.48) ABL1GAAALPLKDM4ECFTR
SCHEMBL23539774 0.84 GAA (0.48) ABL1GAAALPLKDM4ECFTR
SCHEMBL23540111 0.84 SLC6A4 (0.55) ABL1GAAKDM4ECFTRALDH1A1
SCHEMBL29476131 0.84 SLC6A4 (0.55) ABL1GAAKDM4ECFTRALDH1A1

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
EP-4217071-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2023-08-02 EP disclosed
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 WO disclosed
WO-2022066805-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-03-31 WO disclosed