SCHEMBL7980351

SCHEMBL7980351

COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1/C=C/c1ccc(OCc2ccccc2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.54
EGFR P00533 11/20 0.53
ERBB2 P04626 6/20 0.53
KDR P35968 2/20 0.47
GAK O14976 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.46
ABCB1 P08183 1/20 0.46
CLK1 P49759 1/20 0.46
LCK P06239 2/20 0.45

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
SCHEMBL7980352 1.00 RET (0.54) RETEGFRERBB2KDRGAK
SCHEMBL7978490 0.91 RET (0.62) RETEGFRERBB2KDRABCG2
SCHEMBL7978493 0.91 RET (0.62) RETEGFRERBB2KDRABCG2
SCHEMBL7980425 0.89 RET (0.61) RETEGFRERBB2KDRABCG2
SCHEMBL7980428 0.89 RET (0.61) RETEGFRERBB2KDRABCG2
Hydrochloric Acid SCHEMBL4386000 0.86 RET (0.67) RETEGFRERBB2KDRABCG2
SCHEMBL7976955 0.85 EGFR (0.59) RETEGFRERBB2KDRGAK
SCHEMBL7976950 0.85 EGFR (0.59) RETEGFRERBB2KDRGAK
SCHEMBL7979991 0.84 EGFR (0.63) RETEGFRERBB2KDRABCG2
SCHEMBL7978417 0.84 RET (0.60) RETEGFRERBB2KDRABCG2

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