SCHEMBL7980588

SCHEMBL7980588

COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1-c1cnccn1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.61
EGFR P00533 12/20 0.59
ERBB2 P04626 1/20 0.59
KDR P35968 3/20 0.50
CLK1 P49759 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
KIF5B P33176 1/20 0.48
LCK P06239 2/20 0.47
ATM Q13315 1/20 0.46
FLT1 P17948 2/20 0.46
SYK P43405 1/20 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
SCHEMBL7966561 0.88 RET (0.60) RETEGFRERBB2KDRCLK1
SCHEMBL7966689 0.88 RET (0.62) RETEGFRERBB2KDRCLK1
SCHEMBL7966847 0.88 RET (0.59) RETEGFRERBB2KDRCLK1
SCHEMBL7978607 0.86 EGFR (0.60) RETEGFRERBB2KDRCLK1
SCHEMBL8561433 0.84 RET (0.83) RETEGFRERBB2KDRCLK1
Hydrochloric Acid SCHEMBL8904802 0.83 RET (0.81) RETEGFRERBB2KDRCLK1
SCHEMBL7966705 0.82 RET (0.57) RETEGFRERBB2KDRCLK1
SCHEMBL7966702 0.82 RET (0.57) RETEGFRERBB2KDRCLK1
SCHEMBL7980461 0.82 EGFR (0.61) RETEGFRERBB2KDRCLK1
SCHEMBL7980714 0.82 EGFR (0.61) RETEGFRERBB2KDRCLK1

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