SCHEMBL29508066

SCHEMBL29508066

Cn1cc(Nc2ncc(-c3cc(F)cc(Cl)c3)c(Nc3cccc([N+](=O)[O-])c3)n2)cn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.59
▸ CCNT1 O60563 1/20 0.59
▸ CCNE2 O96020 1/20 0.59
▸ CCNE1 P24864 1/20 0.59
▸ CDK9 P50750 1/20 0.59
▸ AXL P30530 13/20 0.50
▸ TYRO3 Q06418 13/20 0.50
▸ MERTK Q12866 13/20 0.50
▸ BRD4 O60885 1/20 0.47
▸ CDK19 Q9BWU1 3/20 0.47
▸ ALK Q9UM73 3/20 0.47
▸ CCNA2 P20248 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ JAK1 P23458 1/20 0.42
▸ JAK3 P52333 1/20 0.42

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
SCHEMBL29065190 1.00 CDK2 (0.59) CDK2CCNT1CCNE2CCNE1CDK9
SCHEMBL24388620 0.86 TYRO3 (0.54) AXLTYRO3MERTKCDK19ALK
SCHEMBL16513510 0.83 CDK19 (0.68) CDK2CCNT1CCNE2CCNE1CDK9
SCHEMBL29250619 0.83 CDK19 (0.68) CDK2CCNT1CCNE2CCNE1CDK9
SCHEMBL29507902 0.82 JAK3 (0.59) JAK1JAK3
SCHEMBL24388582 0.82 JAK3 (0.59) JAK1JAK3
SCHEMBL29507987 0.82 CCNT1 (0.49) CDK2CCNT1CCNE2CCNE1CDK9
SCHEMBL29065154 0.80 ALK (0.68) CDK2CCNT1CCNE2CCNE1CDK9
SCHEMBL29508053 0.79 CDK2 (0.49) CDK2CCNT1CCNE2CCNE1CDK9
SCHEMBL29507970 0.78 CCNT1 (0.46) CDK2CCNT1CCNE2CCNE1CDK9

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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