SCHEMBL6662883

SCHEMBL6662883

N#Cc1ccccc1Nc1ncnc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.61
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
EGFR P00533 5/20 0.55
CLK4 Q9HAZ1 2/20 0.55
DAPK3 O43293 1/20 0.55
MAP4K4 O95819 1/20 0.55
ABL1 P00519 1/20 0.55
ERBB2 P04626 1/20 0.55
PIM1 P11309 1/20 0.55
PRKACA P17612 1/20 0.55
LTK P29376 1/20 0.55
MAPK8 P45983 1/20 0.55
CSNK1A1 P48729 1/20 0.55
RPS6KA3 P51812 1/20 0.55
LIMK1 P53667 1/20 0.55
MAP2K1 Q02750 1/20 0.55
ACVR1 Q04771 1/20 0.55
TYRO3 Q06418 1/20 0.55
MAP4K2 Q12851 1/20 0.55

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
SCHEMBL6664779 0.84 HTT (0.64) MEN1KMT2AEGFRCLK4ERBB2
SCHEMBL27930913 0.78 TTBK1 (0.64) EGFRAURKB
SCHEMBL8976752 0.78 EGFR (0.78) ABCG2MEN1KMT2AEGFRCLK4
SCHEMBL5675946 0.78 EGFR (0.62) ABCG2MEN1KMT2AEGFRCLK4
SCHEMBL31620778 0.76 FLT1 (0.62) ABCG2MEN1KMT2AEGFRCLK4
SCHEMBL31620745 0.76 MEN1 (0.64) ABCG2MEN1KMT2AEGFRCLK4
SCHEMBL9017045 0.76 TTBK1 (0.61) ABCG2MEN1KMT2AEGFRCLK4
SCHEMBL27491008 0.76 EGFR (0.71) ABCG2MEN1KMT2AEGFRCLK4
SCHEMBL29236749 0.76 ABCG2 (0.62) ABCG2MEN1KMT2AEGFRCLK4
SCHEMBL30127662 0.76 EGFR (0.66) ABCG2MEN1KMT2AEGFRCLK4

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-2004013091-A2 4-ANILIDO SUBSTITUTED QUINAZOLINES AND USE THEREOF AS INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR KINASES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-02-12 WO disclosed