SCHEMBL25990345

SCHEMBL25990345

CN/C=C(\C=N)c1cc(C(F)(F)F)nc(N2CC(O)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 3/20 0.38
▸ SORD Q00796 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ TTR P02766 1/20 0.32
▸ IDH2 P48735 6/20 0.32
▸ KHK P50053 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31

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
SCHEMBL22828722 0.89 RBP4 (0.35) RBP4SORDKHKMAPK1MEN1
SCHEMBL22828262 0.86 RBP4 (0.39) RBP4SORDHPGDTTRIDH2
SCHEMBL22828474 0.85 RBP4 (0.35) RBP4KHK
SCHEMBL25990425 0.82 KHK (0.33) RBP4IDH2KHK
SCHEMBL22828723 0.78 KHK (0.39) RBP4SORDHPGDKHKMAPK1
SCHEMBL25990342 0.78 HDAC4 (0.41) IDH2
SCHEMBL22828720 0.73 CYP1A2 (0.38) SORDHPGDKHKMAPK1HSD17B10
SCHEMBL22828654 0.72 MAPT (0.38) HPGDIDH2KHKHSD17B10MEN1
SCHEMBL22828248 0.71 KHK (0.36) SORDHPGDKHKMAPK1HSD17B10
SCHEMBL25990778 0.71 KHK (0.36) SORDHPGDKHKMAPK1HSD17B10

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-3983404-B1 DISUBSTITUTED PYRAZOLE COMPOUNDS AS KETOHEXOKINASE INHBITORS LILLY CO ELI (US) 2023-08-09 — — EP disclosed
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