SCHEMBL6829362

SCHEMBL6829362

COc1ncc(Cl)c(Nc2ncnc3cc(OCCN4CCN(C(C)=O)CC4)cc(OC(C)C)c23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 1.00
KDR P35968 16/20 1.00
ALK Q9UM73 3/20 0.45

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
SCHEMBL6829580 0.88 SRC (0.78) SRCKDR
SCHEMBL6829440 0.87 SRC (1.00) SRCKDR
SCHEMBL6823949 0.87 SRC (0.77) SRCKDR
SCHEMBL6831384 0.86 SRC (0.75) SRCKDR
SCHEMBL6924183 0.86 SRC (0.80) SRCKDR
Azd-0424 SCHEMBL3202072 0.83 SRC (0.73) SRCKDR
Azd-0424 SCHEMBL29382167 0.83 SRC (0.73) SRCKDR
SCHEMBL7132585 0.82 SRC (0.69) SRCKDR
SCHEMBL6826661 0.82 SRC (0.69) SRCKDR
SCHEMBL3194213 0.81 SRC (0.69) SRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004108710-A1 4-PYRIMIDINYL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO disclosed