SCHEMBL29929049

SCHEMBL29929049

Cc1cn(-c2nc(Cl)ncc2C#N)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.41
▸ ELANE P08246 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ PIN1 Q13526 1/20 0.39
▸ PIK3CD O00329 3/20 0.37
▸ KMT2A Q03164 5/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ HPGD P15428 1/20 0.33

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
SCHEMBL26977398 1.00 VCAM1 (0.41) VCAM1ELANEMAPTPIN1PIK3CD
SCHEMBL23611886 0.87 MAPT (0.43) MAPTKMT2AOPRK1ALDH1A1LMNA
SCHEMBL30053407 0.87 MAPT (0.43) MAPTKMT2AOPRK1ALDH1A1LMNA
SCHEMBL29929645 0.86 MAPT (0.42) MAPTKMT2AOPRK1ALDH1A1HTT
SCHEMBL23611969 0.86 MAPT (0.42) MAPTKMT2AOPRK1ALDH1A1HTT
SCHEMBL29929291 0.84 MAPT (0.41) MAPTPIN1KMT2AOPRK1ALDH1A1
SCHEMBL26977540 0.84 MAPT (0.41) MAPTPIN1KMT2AOPRK1ALDH1A1
SCHEMBL29928848 0.80 CCNT1 (0.42) PIK3CD
SCHEMBL27241032 0.80 CCNT1 (0.42) PIK3CD
SCHEMBL26977284 0.79 CDK2 (0.38) ELANEMAPTPIK3CDKMT2AALDH1A1

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
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
WO-2022182972-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF THEIR USE TYRA BIOSCIENCES, INC. (US) 2022-09-01 — — WO disclosed
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