SCHEMBL7254302

SCHEMBL7254302

CN1CCC(Oc2cccc3ncc(C#N)c(O)c23)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.45
FLT1 P17948 1/20 0.45
ERBB2 P04626 4/20 0.43
SRC P12931 3/20 0.43
ABL1 P00519 1/20 0.43
ABL2 P42684 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
CHRM4 P08173 4/20 0.41
KCNH2 Q12809 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CHEK1 O14757 1/20 0.38

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
SCHEMBL7068339 0.87 EGFR (0.48) EGFRFLT1ERBB2SRCABL1
SCHEMBL5460682 0.83 CHRM4 (0.46) EGFRFLT1SRCABL1ABL2
SCHEMBL5465901 0.82 SRC (0.48) EGFRFLT1SRCABL1ABL2
SCHEMBL7065293 0.75 SRC (0.46) EGFRFLT1ERBB2SRCABL1
Hydrochloric Acid SCHEMBL7070735 0.74 SRC (0.45) EGFRFLT1ERBB2SRCABL1
SCHEMBL3130466 0.74 HRH3 (0.55) EGFRFLT1HRH3CHRM4KCNH2
SCHEMBL4029452 0.72 EGFR (0.60) EGFRFLT1ERBB2SRCKCNH2
SCHEMBL16667831 0.70 ABL1 (0.46) EGFRFLT1SRCABL1ABL2
SCHEMBL4027494 0.70 PARP1 (0.48) EGFRERBB2SRCKCNH2
SCHEMBL3287235 0.70 SSTR4 (0.54) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed