SCHEMBL24426663

SCHEMBL24426663

CNc1nc(C)c(-c2ccc3c(c2)OC(F)(F)O3)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ PIK3CD O00329 7/20 0.38
▸ PIK3CG P48736 7/20 0.38
▸ PIK3CA P42336 6/20 0.38
▸ PIK3CB P42338 6/20 0.38
▸ CFTR P13569 2/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RELA Q04206 1/20 0.38

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
SCHEMBL11160835 0.73 KMT2A (0.42) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1
SCHEMBL12004940 0.70 KMT2A (0.49) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1
SCHEMBL20430936 0.69 NOTUM (0.46) NOTUMKIF11CFTRGPR55POLQ
SCHEMBL11916724 0.69 KMT2A (0.48) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1
SCHEMBL924920 0.68 ALDH1A1 (0.51) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1
SCHEMBL10669262 0.68 KMT2A (0.56) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1
Hydrochloric Acid SCHEMBL10668153 0.66 KMT2A (0.54) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1
SCHEMBL16482021 0.66 L3MBTL1 (0.54) NOTUMKIF11GPR55NPC1LMNA
SCHEMBL22628907 0.66 NOTUM (0.49) NOTUMKIF11GPR55ALDH1A1MAPT
SCHEMBL15651736 0.66 BRD4 (0.45) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1

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
EP-3998107-A1 METHOD FOR PRODUCING INSULIN-PRODUCING CELL USING DIHYDROINDOLIZINONE DERIVATIVES Tokyo Institute of Technology (JP) 2022-05-18 — — EP disclosed
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