SCHEMBL30879061

SCHEMBL30879061

CSc1ncc2c(O)cc(=O)n(C3CCC(NC(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 7/20 0.43
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PRKDC P78527 1/20 0.41
JAK2 O60674 4/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
TTK P33981 9/20 0.40
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
RET P07949 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
SCHEMBL30878844 0.87 JAK1 (0.42) JAK1PIK3CAMTORPRKDCJAK2
SCHEMBL30879079 0.85 JAK1 (0.40) JAK1PIK3CAMTORPRKDCJAK2
SCHEMBL1226673 0.85 CYP1A2 (0.37) CDK4CCND1CCND2CCND3TTK
SCHEMBL30878735 0.84 JAK1 (0.38) JAK1PIK3CAMTORPRKDCJAK2
SCHEMBL30878784 0.81 CDK4 (0.41) CDK4CCND1CCND2CCND3
SCHEMBL1226546 0.81 CDK4 (0.41) CDK4CCND1CCND2CCND3
SCHEMBL28385150 0.79 CDK4 (0.49) JAK1PIK3CAMTORPRKDCJAK2
SCHEMBL29785353 0.79 CDK4 (0.49) JAK1PIK3CAMTORPRKDCJAK2
SCHEMBL20674043 0.79 CDK4 (0.49) JAK1PIK3CAMTORPRKDCJAK2
SCHEMBL30879102 0.77 FKBP1A (0.33) CDK4CCND1CCND2CCND3TTK

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-4612148-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
WO-2024094963-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 WO disclosed