SCHEMBL29508097

SCHEMBL29508097

Cn1cc(Nc2ncc(-c3ccc(Cl)c(F)c3)c(Oc3cc([N+](=O)[O-])ccc3F)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.47
▸ CCNE2 O96020 2/20 0.47
▸ CCNE1 P24864 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ MAPK1 P28482 4/20 0.41
▸ MAP3K7 O43318 1/20 0.41
▸ MAP2K1 Q02750 1/20 0.41
▸ MAPK3 P27361 1/20 0.40
▸ JAK3 P52333 5/20 0.39
▸ BTK Q06187 1/20 0.39
▸ JAK1 P23458 3/20 0.39
▸ CDK19 Q9BWU1 2/20 0.38
▸ ALK Q9UM73 2/20 0.38
▸ EGFR P00533 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.37

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
SCHEMBL29507822 0.86 CDK19 (0.43) CDK2CDK9MAPK1MAP3K7MAP2K1
SCHEMBL24388679 0.86 CDK19 (0.43) CDK2CDK9MAPK1MAP3K7MAP2K1
SCHEMBL29508200 0.83 CDK2 (0.51) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL29508118 0.81 JAK3 (0.62) MAPK1MAP3K7MAP2K1JAK3BTK
SCHEMBL24388573 0.81 JAK3 (0.62) MAPK1MAP3K7MAP2K1JAK3BTK
SCHEMBL29250611 0.78 EGFR (0.53) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL29250612 0.78 CDK2 (0.57) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL29507923 0.75 CDK2 (0.49) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL16513405 0.75 CDK19 (0.56) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL29508122 0.75 CDK2 (0.48) CCNT1CCNE2CCNE1CDK2CDK9

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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