SCHEMBL29929645

SCHEMBL29929645

Cc1cn(-c2nc(Cl)ncc2Cl)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ RPS6KA5 O75582 2/20 0.37
▸ RPS6KA4 O75676 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL23611969 1.00 MAPT (0.42) MAPTKMT2AALDH1A1L3MBTL1HTT
SCHEMBL23611886 0.92 MAPT (0.43) MAPTKMT2AALDH1A1L3MBTL1HTT
SCHEMBL30053407 0.92 MAPT (0.43) MAPTKMT2AALDH1A1L3MBTL1HTT
SCHEMBL29929291 0.89 MAPT (0.41) MAPTKMT2AALDH1A1L3MBTL1HTT
SCHEMBL26977540 0.89 MAPT (0.41) MAPTKMT2AALDH1A1L3MBTL1HTT
SCHEMBL29929049 0.86 VCAM1 (0.41) MAPTKMT2AALDH1A1L3MBTL1HTT
SCHEMBL26977398 0.86 VCAM1 (0.41) MAPTKMT2AALDH1A1L3MBTL1HTT
SCHEMBL26980327 0.81 CDC7 (0.44) MAPTKMT2AALDH1A1L3MBTL1HTT
SCHEMBL30671846 0.81 CDC7 (0.44) MAPTKMT2AALDH1A1L3MBTL1HTT
SCHEMBL26977136 0.77 CCND3 (0.49) MAPTKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4297873-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF THEIR USE Tyra Biosciences, Inc. (US) 2024-01-03 — — EP disclosed
CN-117136184-A Aminopyrimidine compounds and methods of use thereof 泰拉生物科学公司 2023-11-28 — — CN disclosed
EP-4085055-A1 AMINOPYRIMIDINE COMPOUNDS Tyra Biosciences, Inc. (US) 2022-11-09 — — EP disclosed
WO-2022182972-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF THEIR USE TYRA BIOSCIENCES, INC. (US) 2022-09-01 — — WO disclosed
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