SCHEMBL29476340

SCHEMBL29476340

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 6/20 0.51
▸ ABL1 P00519 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ GAA P10253 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ACLY P53396 1/20 0.36
▸ NQO2 P16083 4/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL23540452 1.00 CFTR (0.51) CFTRABL1KDM4EGAAALDH1A1
SCHEMBL23539774 0.88 GAA (0.48) CFTRABL1KDM4EGAAALDH1A1
SCHEMBL29476391 0.88 GAA (0.48) CFTRABL1KDM4EGAAALDH1A1
SCHEMBL23557174 0.86 ABL1 (0.44) CFTRABL1KDM4EGAAALDH1A1
SCHEMBL29654654 0.84 CFTR (0.50) CFTRABL1KDM4EGAAALDH1A1
SCHEMBL24525035 0.84 CFTR (0.50) CFTRABL1KDM4EGAAALDH1A1
SCHEMBL29476232 0.82 CFTR (0.52) CFTRABL1KDM4EGAAALDH1A1
SCHEMBL23540410 0.82 CFTR (0.52) CFTRABL1KDM4EGAAALDH1A1
SCHEMBL23540576 0.81 ALDH1A1 (0.41) CFTRKDM4EGAAALDH1A1HSD17B10
SCHEMBL29476351 0.81 ALDH1A1 (0.41) CFTRKDM4EGAAALDH1A1HSD17B10

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
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