SCHEMBL7574688

SCHEMBL7574688

COc1ccc(Cl)c(Nc2ncnc3cc(O)c(OC)cc23)c1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.83
KDR P35968 10/20 0.70
RET P07949 9/20 0.70
KIF5B P33176 7/20 0.70
RAF1 P04049 3/20 0.64
BRAF P15056 3/20 0.64
EGFR P00533 3/20 0.60
RIPK2 O43353 1/20 0.59
NOD1 Q9Y239 1/20 0.59
LCK P06239 1/20 0.58

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
SCHEMBL7575453 0.86 SRC (0.61) SRCKDRRETKIF5BEGFR
SCHEMBL18158610 0.82 RET (1.00) SRCKDRRETKIF5BRAF1
SCHEMBL6018368 0.82 EGFR (0.68) SRCKDRRETKIF5BEGFR
SCHEMBL907182 0.81 KDR (0.77) KDRRETKIF5BRAF1BRAF
Hydrochloric Acid SCHEMBL907165 0.81 EGFR (0.67) SRCKDRRETKIF5BEGFR
SCHEMBL7573786 0.81 SRC (0.80) SRCKDRRETKIF5BEGFR
SCHEMBL2456254 0.80 RET (0.72) KDRRETKIF5BEGFR
SCHEMBL7574178 0.79 SRC (0.77) SRCKDRRETKIF5BEGFR
SCHEMBL3274759 0.79 SRC (0.77) SRCKDRRETKIF5BRAF1
SCHEMBL7580342 0.79 SRC (0.76) SRCKDRRETKIF5BEGFR

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
WO-2002092579-A1 4-ANILINOQUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed