SCHEMBL31708108

SCHEMBL31708108

C#C[C@@](C)(O)c1cc(OC)nc(C)n1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 5/20 0.51
▸ RECQL P46063 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL31708065 0.84 LMNA (0.42) PDE2AKDM4EALDH1A1CYP1A2
SCHEMBL24111471 0.81 PDE2A (0.46) PDE2ARECQLKDM4EALDH1A1POLB
SCHEMBL31708038 0.80 HSP90AA1 (0.32) PDE2APOLB
SCHEMBL17194951 0.77 PDE2A (0.48) PDE2ARECQLKDM4EALDH1A1POLB
SCHEMBL31708045 0.75 CYP2C19 (0.35) PDE2AKDM4EALDH1A1
SCHEMBL25217067 0.75 CYP2C19 (0.35) PDE2AKDM4EALDH1A1
SCHEMBL31708020 0.74 HRH4 (0.33) PDE2A
SCHEMBL25239087 0.72 PDE2A (0.33) PDE2APOLB
SCHEMBL13012210 0.72 GAA (0.50) PDE2AKDM4EALDH1A1POLB
SCHEMBL24940652 0.71 ALDH1A1 (0.42) PDE2AKDM4EALDH1A1POLBCYP1A2

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-4143179-B1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER IDORSIA PHARMACEUTICALS LTD (CH) 2025-10-22 — — EP disclosed
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