SCHEMBL4033919

SCHEMBL4033919

Cc1cccc(N(c2ccns2)c2ncnc3cccc(OC4CCN(C)CC4)c23)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.45
ERBB2 P04626 4/20 0.45
SRC P12931 6/20 0.44
KCNH2 Q12809 1/20 0.42
KDR P35968 3/20 0.36
CSF1R P07333 2/20 0.34
LRRK2 Q5S007 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34

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
Hydrochloric Acid SCHEMBL5664057 0.99 EGFR (0.44) EGFRERBB2SRCKCNH2KDR
SCHEMBL6313281 0.82 EGFR (0.48) EGFRERBB2SRCKCNH2KDR
SCHEMBL5475801 0.72 EGFR (0.54) EGFRERBB2SRCKCNH2KDR
Hydrochloric Acid SCHEMBL4034029 0.72 EGFR (0.70) EGFRERBB2SRCKCNH2KDR
SCHEMBL4029452 0.69 EGFR (0.60) EGFRERBB2SRCKCNH2KDR
SCHEMBL6621804 0.68 ERBB2 (0.41) EGFRERBB2SRCKCNH2KDR
SCHEMBL6621126 0.66 EGFR (0.40) EGFRERBB2SRCKCNH2KDR
SCHEMBL6618997 0.66 EGFR (0.49) EGFRERBB2SRCKCNH2KDR
SCHEMBL6620697 0.66 SLC6A2 (0.42) EGFRERBB2SRCKCNH2KDR
SCHEMBL4033918 0.65 EGFR (0.65) EGFRERBB2SRCKCNH2KDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed