SCHEMBL29695093

SCHEMBL29695093

COC(C)(C)c1ccc(Br)nc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNA4 P43681 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
SCHEMBL5200049 1.00 CHRNB2 (0.30) CHRNB2CHRNA4
SCHEMBL23563100 0.79 ALOX5AP (0.32) —
SCHEMBL30015455 0.79 ALOX5AP (0.32) —
SCHEMBL13010773 0.79 TSHR (0.39) CHRNB2CHRNA4
SCHEMBL1534916 0.78 — —
SCHEMBL17804168 0.76 DGAT1 (0.36) —
SCHEMBL30043054 0.75 TNKS (0.37) CHRNB2CHRNA4
SCHEMBL746530 0.75 TNKS (0.37) CHRNB2CHRNA4
SCHEMBL24129962 0.75 PDE2A (0.38) CHRNB2CHRNA4
SCHEMBL1554553 0.75 MBOAT4 (0.33) CHRNB2CHRNA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117083271-A Substituted thiadiazolyl derivatives as DNA polymerase theta inhibitors 伊迪亚生物科学有限公司 2023-11-17 — — CN disclosed
EP-4255573-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2023-10-11 — — EP disclosed
WO-2022118210-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-06-09 — — WO disclosed
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