SCHEMBL3529124

SCHEMBL3529124

COc1cc2c(SC)ncnc2cc1O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.51
RET P07949 8/20 0.51
KIF5B P33176 6/20 0.51
EGFR P00533 5/20 0.49
KDM1A O60341 2/20 0.48
FLT3 P36888 3/20 0.47
LCK P06239 2/20 0.45
GAK O14976 1/20 0.45
RIPK2 O43353 1/20 0.45
STK10 O94804 1/20 0.45
JAK3 P52333 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
Q6ZSR9 Q6ZSR9 1/20 0.45
SLK Q9H2G2 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
RPS6KA6 Q9UK32 1/20 0.45
ALK Q9UM73 1/20 0.45
AURKB Q96GD4 2/20 0.44
AURKA O14965 1/20 0.43

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
SCHEMBL9202302 0.83 KDR (0.38) KDRRETKIF5BEGFRKDM1A
SCHEMBL7802744 0.80 EGFR (0.53) KDRRETKIF5BEGFRFLT3
SCHEMBL11315816 0.79 EGFR (0.52) KDRRETKIF5BEGFRFLT3
SCHEMBL10296332 0.79 KDR (0.52) KDRRETKIF5BEGFRFLT3
SCHEMBL20813470 0.79 EGFR (0.52) KDRRETKIF5BEGFRFLT3
SCHEMBL10940331 0.78 EGFR (0.52) KDRRETKIF5BEGFRFLT3
SCHEMBL296984 0.78 ENPP1 (0.63) KDRRETKIF5BEGFRFLT3
SCHEMBL30054610 0.78 ENPP1 (0.63) KDRRETKIF5BEGFRFLT3
SCHEMBL4417590 0.78 PDE5A (0.51) KDRRETKIF5BEGFRFLT3
SCHEMBL3526777 0.76 EGFR (0.46) KDRRETKIF5BEGFRKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed