SCHEMBL30878684

SCHEMBL30878684

CSc1ncc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(Br)c(=O)n(C3CCC(NC(C)=O)CC3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TTK P33981 2/20 0.33
CDK4 P11802 7/20 0.32
CCND1 P24385 6/20 0.32
CCND3 P30281 5/20 0.32
CDK6 Q00534 5/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CCND2 P30279 2/20 0.30
PIK3CA P42336 1/20 0.30
CDK2 P24941 2/20 0.30
CDK9 P50750 2/20 0.30
MAPK8 P45983 2/20 0.30
MAPK9 P45984 2/20 0.30
MAPK10 P53779 2/20 0.30
AURKA O14965 1/20 0.30
NTRK1 P04629 1/20 0.30
IGF1R P08069 1/20 0.30
EPHA1 P21709 1/20 0.30

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
SCHEMBL30878729 0.91 JAK2 (0.39) JAK2JAK1TTKCDK4CCND1
SCHEMBL30878702 0.83 TTK (0.40) JAK2JAK1TTKCDK4CCND1
SCHEMBL30878929 0.77 USP19 (0.31) TTKPIM1PIM2
SCHEMBL30878713 0.77 CDK4 (0.38) JAK2JAK1TTKCDK4CCND1
SCHEMBL22553579 0.76 CDK4 (0.43) JAK2JAK1CDK4CCND1CCND3
SCHEMBL22553578 0.76 CDK4 (0.43) JAK2JAK1CDK4CCND1CCND3
SCHEMBL30878785 0.76 TTK (0.42) JAK1TTKCDK4CCND1CCND3
SCHEMBL30879078 0.75 TTK (0.43) JAK2JAK1TTKMAPK8MAPK9
SCHEMBL30878965 0.74 TTK (0.37) JAK2JAK1TTKMAPK8MAPK9
SCHEMBL30879312 0.73 TTK (0.36) JAK2JAK1TTKMAPK8MAPK9

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