SCHEMBL29507923

SCHEMBL29507923

Cn1cc(Nc2ncc(-c3ccc(N)c(F)c3)c(Nc3cc([N+](=O)[O-])ccc3F)n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.49
▸ CDK9 P50750 4/20 0.49
▸ CCNT1 O60563 2/20 0.49
▸ CCNE2 O96020 2/20 0.49
▸ CCNE1 P24864 2/20 0.49
▸ JAK3 P52333 11/20 0.41
▸ JAK1 P23458 9/20 0.40
▸ JAK2 O60674 5/20 0.40
▸ TYK2 P29597 5/20 0.40
▸ KDR P35968 3/20 0.40
▸ AURKB Q96GD4 3/20 0.40
▸ ALK Q9UM73 3/20 0.40
▸ CDC7 O00311 2/20 0.40
▸ DAPK3 O43293 2/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ PRKD3 O94806 2/20 0.40
▸ MAP4K4 O95819 2/20 0.40
▸ PAK4 O96013 2/20 0.40
▸ PIM1 P11309 2/20 0.40
▸ PRKACA P17612 2/20 0.40

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
SCHEMBL29508056 0.92 CDK2 (0.49) CDK2CDK9CCNT1CCNE2CCNE1
SCHEMBL29508122 0.91 CDK2 (0.48) CDK2CDK9CCNT1CCNE2CCNE1
SCHEMBL29538078 0.88 CDK2 (0.50) CDK2CDK9CCNT1CCNE2CCNE1
SCHEMBL26619221 0.88 CCNE2 (0.48) CDK2CDK9CCNT1CCNE2CCNE1
SCHEMBL29537557 0.88 CCNE2 (0.48) CDK2CDK9CCNT1CCNE2CCNE1
SCHEMBL29508053 0.87 CDK2 (0.49) CDK2CDK9CCNT1CCNE2CCNE1
SCHEMBL29507910 0.86 CDK2 (0.44) CDK2CDK9CCNT1CCNE2CCNE1
SCHEMBL29537792 0.85 CCNT1 (0.50) CDK2CDK9CCNT1CCNE2CCNE1
SCHEMBL29250640 0.85 CCNT1 (0.50) CDK2CDK9CCNT1CCNE2CCNE1
SCHEMBL29508070 0.85 CDK2 (0.43) CDK2CDK9CCNT1CCNE2CCNE1

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
EP-4237088-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF Blueprint Medicines Corporation (US) 2023-09-06 — — EP disclosed
WO-2022094355-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
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