SCHEMBL7976800

SCHEMBL7976800

COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1I

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.70
EGFR P00533 14/20 0.66
ERBB2 P04626 1/20 0.66
CLK1 P49759 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
LCK P06239 3/20 0.55
KDR P35968 5/20 0.54
FLT1 P17948 2/20 0.53
KIF5B P33176 1/20 0.52
GAK O14976 1/20 0.51
RIPK2 O43353 1/20 0.51
STK10 O94804 1/20 0.51
FLT3 P36888 1/20 0.51
JAK3 P52333 1/20 0.51
AAK1 Q2M2I8 1/20 0.51
Q6ZSR9 Q6ZSR9 1/20 0.51
SLK Q9H2G2 1/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
RPS6KA6 Q9UK32 1/20 0.51
ALK Q9UM73 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
SCHEMBL8561433 0.91 RET (0.83) RETEGFRERBB2CLK1ABCG2
Hydrochloric Acid SCHEMBL8904802 0.90 RET (0.81) RETEGFRERBB2CLK1ABCG2
SCHEMBL7982775 0.85 RET (0.67) RETEGFRERBB2CLK1ABCG2
SCHEMBL4383397 0.85 RET (0.70) RETEGFRERBB2CLK1ABCG2
Hydrochloric Acid SCHEMBL8976571 0.84 RET (0.69) RETEGFRERBB2CLK1ABCG2
Hydrochloric Acid SCHEMBL4377353 0.84 RET (0.69) RETEGFRERBB2CLK1ABCG2
SCHEMBL4371491 0.84 RET (0.74) RETEGFRERBB2CLK1ABCG2
SCHEMBL8976728 0.82 RET (1.00) RETEGFRCLK1ABCG2LCK
SCHEMBL30264877 0.82 RET (0.66) RETEGFRERBB2CLK1ABCG2
Hydrochloric Acid SCHEMBL4386000 0.81 RET (0.67) RETEGFRERBB2CLK1ABCG2

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
US-6225318-B1 4-aminoquinazolone derivatives PFIZER INC 2001-05-01 US disclosed
EP-0837063-A1 4-Aminoquinazoline derivatives PFIZER INC. (US) 1998-04-22 EP disclosed