SCHEMBL29548014

SCHEMBL29548014

Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C2(O)CCOCC2)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CSF1R P07333 1/20 0.32
▸ LPL P06858 3/20 0.31
▸ LIPG Q9Y5X9 3/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ CYP11B2 P19099 1/20 0.30

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
SCHEMBL24270108 1.00 HTR1D (0.33) HTR1DMAPK1CSF1RLPLLIPG
SCHEMBL24270206 0.92 HIF1A (0.32) MAPK1CSF1RHIF1A
SCHEMBL29547787 0.92 HIF1A (0.32) MAPK1CSF1RHIF1A
SCHEMBL24270178 0.88 CSF1R (0.33) CSF1RLPLLIPGHIF1A
SCHEMBL24269646 0.85 HIF1A (0.34) MAPK1CSF1RLPLLIPGHIF1A
SCHEMBL24270223 0.84 PDE2A (0.33) MAPK1HIF1ACYP11B2
SCHEMBL22290862 0.80 LIPG (0.42) HTR1DMAPK1LPLLIPG
SCHEMBL2981753 0.79 HTR1D (0.40) HTR1DCYP11B2
SCHEMBL15774984 0.79 LPL (0.45) MAPK1LPLLIPG
SCHEMBL16196633 0.79 CYP11B2 (0.37) HTR1DMAPK1LPLLIPGCYP11B2

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-2022068848-A1 3-[(1H-PYRAZOL-4-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2022-04-07 — — WO disclosed
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