SCHEMBL6161985

SCHEMBL6161985

CC(C)(C)N1CCN(CCCO[Si](C)(C)C(C)(C)C)C(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.43
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
BTK Q06187 1/20 0.31

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
SCHEMBL28523658 0.79 DUT (0.46) DUT
SCHEMBL1632352 0.78 DUT (0.45) DUTPARP1PARP2
SCHEMBL4024207 0.78 PARP1 (0.46) DUTPARP1PARP2
SCHEMBL8865301 0.77 DUT (0.44) DUTPARP1PARP2
SCHEMBL28437904 0.76 DUT (0.46) DUTPARP1PARP2
SCHEMBL30171833 0.75 BTK (0.32) BTK
SCHEMBL13849326 0.75 P2RX7 (0.41) PARP1PARP2BTK
SCHEMBL3536122 0.73 DUT (0.49) DUTPARP1PARP2
SCHEMBL27339801 0.73 P2RX7 (0.38) BTK
SCHEMBL9764243 0.72 DUT (0.40) DUT

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-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO disclosed