SCHEMBL29654495

SCHEMBL29654495

COC(=O)c1cc(C(F)(F)F)c(-c2ccc(F)cn2)cc1NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ CFTR P13569 4/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL24525378 1.00 JAK2 (0.44) JAK2TYK2CFTRPDE3BPDE3A
SCHEMBL25486953 0.85 JAK2 (0.46) JAK2TYK2L3MBTL1TSHRSLC6A4
SCHEMBL24525459 0.84 JAK2 (0.43) JAK2TYK2L3MBTL1ALDH1A1HPGD
SCHEMBL24525000 0.84 CFTR (0.37) CFTRPIK3CAABL1SRCNTRK1
SCHEMBL29654506 0.84 CFTR (0.37) CFTRPIK3CAABL1SRCNTRK1
SCHEMBL29654668 0.83 CFTR (0.55) CFTRPDE3BPDE3AL3MBTL1ALDH1A1
SCHEMBL24525019 0.83 CFTR (0.55) CFTRPDE3BPDE3AL3MBTL1ALDH1A1
SCHEMBL29476278 0.83 SLC6A4 (0.49) CFTRL3MBTL1ALDH1A1HPGDTSHR
SCHEMBL23541000 0.83 SLC6A4 (0.49) CFTRL3MBTL1ALDH1A1HPGDTSHR
SCHEMBL23539711 0.81 ALPL (0.41) CFTRL3MBTL1ALDH1A1TSHRPIK3CA

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
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