SCHEMBL24501494

SCHEMBL24501494

Nc1nnc(OCC2CCCC2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CDK2 P24941 9/20 0.38
▸ CCNA2 P20248 7/20 0.38
▸ CCNA1 P78396 6/20 0.38
▸ CDK1 P06493 3/20 0.37
▸ CCNB1 P14635 3/20 0.37
▸ MCHR1 Q99705 2/20 0.37
▸ CCNB2 O95067 2/20 0.37
▸ CCNB3 Q8WWL7 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MTOR P42345 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ MAPK3 P27361 1/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.35

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
SCHEMBL19449335 0.96 POLB (0.44) POLBGAASMN1; SMN2CDK2CCNA2
SCHEMBL22717781 0.94 POLB (0.40) POLBGAASMN1; SMN2CDK2CCNA2
SCHEMBL24501285 0.86 POLB (0.35) POLBGAASMN1; SMN2GLSALDH1A1
SCHEMBL24501049 0.85 DHFR (0.39) POLBGAASMN1; SMN2MCHR1GLS
SCHEMBL24500857 0.83 POLB (0.35) POLBGAASMN1; SMN2ALDH1A1HPGD
SCHEMBL29108540 0.82 FEN1 (0.35) POLBGAAGLS
SCHEMBL24501232 0.82 KDM5A (0.33) POLBGAA
SCHEMBL24501428 0.81 POLB (0.33) POLBGAAMCHR1
SCHEMBL24501417 0.80 BACE1 (0.34) POLBGAA
SCHEMBL24501584 0.80 LRRK2 (0.32) POLBGAAGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023233295-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS AND USES THEREOF IDEAYA BIOSCIENCES, INC. (US) 2023-12-07 — — WO 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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