SCHEMBL31708038

SCHEMBL31708038

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ PDE4A P27815 1/20 0.30
▸ AGO2 Q9UKV8 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ PDE2A O00408 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
SCHEMBL31708108 0.80 PDE2A (0.51) POLBPDE2A
SCHEMBL31708020 0.80 HRH4 (0.33) PDE2A
SCHEMBL25207482 0.74 KMT2A (0.30) —
SCHEMBL803483 0.73 KDM4E (0.40) HSP90AA1HSP90AB1PDE4AAGO2POLB
SCHEMBL31708103 0.73 KDM4E (0.33) —
SCHEMBL25216335 0.70 CCR1 (0.39) —
SCHEMBL27050468 0.70 HSP90AA1 (0.45) HSP90AA1HSP90AB1PDE4AAGO2POLB
SCHEMBL24690475 0.70 HSP90AA1 (0.41) HSP90AA1HSP90AB1PDE4AAGO2POLB
SCHEMBL31708186 0.68 KMT2A (0.34) —
SCHEMBL11970843 0.68 KMT2A (0.34) —

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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