SCHEMBL30879192

SCHEMBL30879192

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(=O)n(C)c2n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 10/20 0.54
ALK Q9UM73 2/20 0.51
EGFR P00533 5/20 0.51
INSR P06213 1/20 0.51
IGF1R P08069 1/20 0.51
DCLK1 O15075 2/20 0.50
LRRK2 Q5S007 2/20 0.50
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
CDK6 Q00534 1/20 0.50
MAPK7 Q13164 1/20 0.50
BRD4 O60885 1/20 0.50

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
SCHEMBL30878349 0.87 TTK (0.59) TTKEGFR
SCHEMBL30879172 0.86 CDK4 (0.56) EGFRCDK4CCND1CDK6
SCHEMBL30878821 0.85 EGFR (0.47) ALKEGFRINSRIGF1RLRRK2
SCHEMBL30879244 0.84 FLT3 (0.54) TTKALKEGFRBRD4
SCHEMBL30878685 0.82 IGF1R (0.54) ALKEGFRINSRIGF1RDCLK1
SCHEMBL30879220 0.80 CSF1R (0.38) EGFRCDK4CCND1BRD4
SCHEMBL30878822 0.80 EGFR (0.49) TTKALKEGFRIGF1RCDK4
SCHEMBL20080169 0.79 EGFR (0.69) TTKALKEGFRINSRIGF1R
SCHEMBL30879403 0.79 CDK4 (0.63) EGFRCDK4CCND1
SCHEMBL30879021 0.77 TNK2 (0.48) TTKEGFRCDK4CCND1BRD4

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