SCHEMBL6977898

SCHEMBL6977898

COc1ccc(Cl)c(Nc2ncnc3cc(OC)cc(OC)c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 1.00
KDR P35968 9/20 0.57
EGFR P00533 1/20 0.53
BRAF P15056 1/20 0.53
TNNI3K Q59H18 1/20 0.53
RET P07949 1/20 0.52
KIF5B P33176 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
Hydrochloric Acid SCHEMBL3279937 0.99 SRC (0.98) SRCKDREGFRBRAFTNNI3K
SCHEMBL3274759 0.87 SRC (0.77) SRCKDRBRAFRETKIF5B
Hydrochloric Acid SCHEMBL3274525 0.86 SRC (0.75) SRCKDREGFRRETKIF5B
Hydrochloric Acid SCHEMBL3277321 0.84 SRC (0.73) SRCKDREGFRBRAFTNNI3K
SCHEMBL6912170 0.84 TNNI3K (0.76) SRCEGFRBRAFTNNI3K
Hydrochloric Acid SCHEMBL12003627 0.83 TNNI3K (0.75) SRCEGFRBRAFTNNI3K
Hydrochloric Acid SCHEMBL3276171 0.83 SRC (0.70) SRCKDREGFRALDH1A1HPGD
SCHEMBL3198124 0.83 SRC (1.00) SRCKDREGFR
SCHEMBL3280052 0.80 SRC (0.67) SRCKDREGFRBRAFRET
SCHEMBL3282493 0.80 SRC (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292594-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AstraZeneca AB (SE) 2003-03-19 EP disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 WO disclosed