SCHEMBL6017121

SCHEMBL6017121

CC(C)(C)N1CCC(Oc2ccc3ncnc(Cl)c3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.45
PDE3B Q13370 9/20 0.40
PDE3A Q14432 9/20 0.40
PDE10A Q9Y233 8/20 0.40
ERBB2 P04626 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MAPK14 Q16539 1/20 0.39
CSF1R P07333 1/20 0.38
FLT3 P36888 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.37

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
SCHEMBL5564929 0.82 PIK3CD (0.51) ERBB2HRH3
SCHEMBL5566186 0.81 HRH3 (0.49) CHRM4HRH3EGFR
SCHEMBL14489819 0.80 EGFR (0.49) CHRM4ERBB2EGFR
SCHEMBL6017316 0.79 ENPP1 (0.52) PDE3BPDE3APDE10AERBB2EGFR
SCHEMBL5754733 0.79 ENPP1 (0.52) PDE3BPDE3APDE10AERBB2EGFR
SCHEMBL1527983 0.79 EGFR (0.47) CHRM4ERBB2EGFR
SCHEMBL14489815 0.78 GPR119 (0.47) CHRM4ERBB2EGFR
Hydrochloric Acid SCHEMBL4967454 0.78 EGFR (0.46) CHRM4ERBB2EGFR
SCHEMBL5568756 0.77 ERBB2 (0.47) CHRM4ERBB2EGFR
SCHEMBL5569914 0.77 EGFR (0.53) PDE3BPDE3APDE10AERBB2EGFR

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
EP-1664028-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026151-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed