SCHEMBL29065154

SCHEMBL29065154

Cn1cc(Nc2ncc(Br)c(Nc3cccc([N+](=O)[O-])c3)n2)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 7/20 0.68
▸ CDK19 Q9BWU1 5/20 0.68
▸ CDK2 P24941 7/20 0.61
▸ CDK9 P50750 3/20 0.61
▸ CCNT1 O60563 2/20 0.61
▸ CCNE1 P24864 2/20 0.61
▸ CCNE2 O96020 1/20 0.61
▸ BRD4 O60885 1/20 0.55
▸ SYK P43405 3/20 0.55
▸ GSK3B P49841 3/20 0.55
▸ CDK7 P50613 2/20 0.55
▸ CDC7 O00311 1/20 0.55
▸ DAPK3 O43293 1/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ ROCK2 O75116 1/20 0.55
▸ PRKD3 O94806 1/20 0.55
▸ MAP4K4 O95819 1/20 0.55
▸ PAK4 O96013 1/20 0.55
▸ PIM1 P11309 1/20 0.55
▸ PRKACA P17612 1/20 0.55

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
SCHEMBL16513510 0.88 CDK19 (0.68) ALKCDK19CDK2CDK9CCNT1
SCHEMBL29250619 0.88 CDK19 (0.68) ALKCDK19CDK2CDK9CCNT1
SCHEMBL16513359 0.85 CDK2 (0.58) ALKCDK19CDK2CDK9CCNT1
SCHEMBL29250741 0.84 CDK2 (0.53) ALKCDK19CDK2CDK9CCNT1
SCHEMBL29537438 0.84 CDK2 (0.53) ALKCDK19CDK2CDK9CCNT1
SCHEMBL29065172 0.83 ALK (0.56) ALKCDK19CDK2CDK9CCNT1
SCHEMBL29250751 0.82 CDK2 (0.61) CDK2CDK9CCNT1CCNE1CCNE2
SCHEMBL30584595 0.82 CDK2 (0.61) CDK2CDK9CCNT1CCNE1CCNE2
SCHEMBL29250652 0.82 CDK2 (0.52) ALKCDK19CDK2CDK9CCNT1
SCHEMBL29508066 0.80 CDK2 (0.59) ALKCDK19CDK2CDK9CCNT1

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-4237088-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF Blueprint Medicines Corporation (US) 2023-09-06 — — EP disclosed
CN-116710444-A Pyrimidine compounds, compositions and pharmaceutical uses thereof 缆图药品公司 2023-09-05 — — CN disclosed
WO-2022094355-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
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