SCHEMBL7976725

SCHEMBL7976725

COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1-c1c(C)ccnc1C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.60
EGFR P00533 9/20 0.58
ERBB2 P04626 1/20 0.58
BRAF P15056 3/20 0.50
KDR P35968 5/20 0.48
KIF5B P33176 2/20 0.48
CLK1 P49759 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
LCK P06239 1/20 0.47
RAF1 P04049 2/20 0.47
FLT1 P17948 2/20 0.46

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 0.84 RET (0.83) RETEGFRERBB2KDRKIF5B
SCHEMBL7980461 0.83 EGFR (0.61) RETEGFRERBB2BRAFKDR
Hydrochloric Acid SCHEMBL8904802 0.83 RET (0.81) RETEGFRERBB2KDRKIF5B
SCHEMBL7978778 0.82 EGFR (0.60) RETEGFRERBB2BRAFKDR
SCHEMBL7966689 0.82 RET (0.62) RETEGFRERBB2KDRKIF5B
SCHEMBL7980588 0.81 RET (0.61) RETEGFRERBB2KDRKIF5B
SCHEMBL7980714 0.81 EGFR (0.61) RETEGFRERBB2BRAFKDR
SCHEMBL7978607 0.80 EGFR (0.60) RETEGFRERBB2BRAFKDR
SCHEMBL7966561 0.80 RET (0.60) RETEGFRERBB2BRAFKDR
SCHEMBL7976800 0.80 RET (0.70) RETEGFRERBB2KDRKIF5B

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