SCHEMBL29928848

SCHEMBL29928848

Cc1cn(-c2nc(Nc3cnn(C)c3)ncc2C#N)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CDK9 P50750 2/20 0.42
▸ CCNE2 O96020 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CCNH P51946 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ PIK3CD O00329 2/20 0.41
▸ JAK1 P23458 10/20 0.40
▸ JAK2 O60674 9/20 0.40
▸ TYK2 P29597 6/20 0.40
▸ TBK1 Q9UHD2 2/20 0.39
▸ STAT3 P40763 4/20 0.39
▸ ABL1 P00519 3/20 0.39
▸ KDR P35968 3/20 0.39
▸ GSK3B P49841 3/20 0.39

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
SCHEMBL27241032 1.00 CCNT1 (0.42) CCNT1CDK2CDK9CCNE2CCNE1
SCHEMBL27240942 0.89 JAK2 (0.48) CCNT1CDK2CDK9CCNE2CCNE1
SCHEMBL27240978 0.85 TBK1 (0.42) JAK1JAK2TYK2TBK1STAT3
SCHEMBL29929573 0.85 TBK1 (0.42) JAK1JAK2TYK2TBK1STAT3
SCHEMBL26977284 0.82 CDK2 (0.38) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL30671845 0.80 TBK1 (0.42) CDK2CDK9CDK7JAK1JAK2
SCHEMBL26979795 0.80 JAK3 (0.49) JAK1JAK2JAK3
SCHEMBL29929049 0.80 VCAM1 (0.41) PIK3CD
SCHEMBL26977398 0.80 VCAM1 (0.41) PIK3CD
SCHEMBL23611947 0.80 CDK2 (0.38) CCNT1CDK2CDK9CCNE2CCNE1

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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