SCHEMBL29537557

SCHEMBL29537557

Cn1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)c(Nc3cc([N+](=O)[O-])ccc3F)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 2/20 0.48
▸ CCNE1 P24864 2/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ CCNT1 O60563 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ LRRK2 Q5S007 1/20 0.43
▸ KDR P35968 2/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ MERTK Q12866 5/20 0.42
▸ TYRO3 Q06418 4/20 0.42
▸ AXL P30530 3/20 0.41
▸ CTSC P53634 1/20 0.41
▸ DDR2 Q16832 5/20 0.40
▸ TLR2 O60603 1/20 0.40
▸ TLR1 Q15399 1/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ CDK19 Q9BWU1 1/20 0.38
▸ ALK Q9UM73 1/20 0.38

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
SCHEMBL26619221 1.00 CCNE2 (0.48) CCNE2CCNE1CDK2CCNT1CDK9
SCHEMBL29537792 0.91 CCNT1 (0.50) CCNE2CCNE1CDK2CCNT1CDK9
SCHEMBL29250640 0.91 CCNT1 (0.50) CCNE2CCNE1CDK2CCNT1CDK9
SCHEMBL29508046 0.91 CDK2 (0.46) CCNE2CCNE1CDK2CCNT1CDK9
SCHEMBL29065177 0.91 CDK2 (0.46) CCNE2CCNE1CDK2CCNT1CDK9
SCHEMBL29538078 0.91 CDK2 (0.50) CCNE2CCNE1CDK2CCNT1CDK9
SCHEMBL29507923 0.88 CDK2 (0.49) CCNE2CCNE1CDK2CCNT1CDK9
SCHEMBL29250654 0.88 LRRK2 (0.40) CCNE2CCNE1CDK2CCNT1CDK9
SCHEMBL29537939 0.88 LRRK2 (0.40) CCNE2CCNE1CDK2CCNT1CDK9
SCHEMBL29508122 0.87 CDK2 (0.48) CCNE2CCNE1CDK2CCNT1CDK9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119923392-A Salt and crystal forms of an epidermal growth factor receptor inhibitor 缆图药品公司 2025-05-02 — — CN disclosed
EP-4519254-A1 SALT AND CRYSTAL FORMS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITOR Blueprint Medicines Corporation (US) 2025-03-12 — — EP disclosed
WO-2023215431-A1 SALT AND CRYSTAL FORMS OF AN EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITOR BLUEPRINT MEDICINES CORPORATION (US) 2023-11-09 — — WO disclosed
EP-4237418-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF Blueprint Medicines Corporation (US) 2023-09-06 — — EP disclosed
CN-116685583-A Pyrimidine compounds, compositions and pharmaceutical uses thereof 缆图药品公司 2023-09-01 — — CN disclosed
WO-2022094354-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
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