SCHEMBL22717613

SCHEMBL22717613

Nc1nnc(OCc2ccc(C3CC3)cn2)s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 1/20 0.41
▸ RXRA P19793 7/20 0.32
▸ GRIN1 Q05586 7/20 0.32
▸ GRIN2B Q13224 7/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ GABRA1 P14867 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 1/20 0.30
▸ GABRA2 P47869 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
SCHEMBL29108432 0.85 MBOAT4 (0.32) MBOAT4
SCHEMBL29694668 0.85 MBOAT4 (0.32) MBOAT4
SCHEMBL22717603 0.82 MGAM (0.40) —
SCHEMBL22717489 0.77 ALDH1A1 (0.43) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL22717648 0.77 RAB9A (0.43) MBOAT4PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL22717514 0.77 MEN1 (0.41) MBOAT4PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL29694658 0.76 MBOAT4 (0.39) MBOAT4
SCHEMBL29108267 0.76 MBOAT4 (0.39) MBOAT4
SCHEMBL29108351 0.75 ALDH1A1 (0.46) MBOAT4PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL29108435 0.75 PIK3CA (0.36) PIK3CDPIK3CAPIK3CBPI4KAPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976608-B1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2023-11-08 — — EP disclosed
EP-3976608-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2022-04-06 — — EP disclosed
CN-114127062-A Thiadiazolyl derivatives as inhibitors of DNA polymerase Theta 伊迪亚生物科学有限公司 2022-03-01 — — CN disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 — — WO disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 — — WO disclosed
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