SCHEMBL3367321

SCHEMBL3367321

CCCOc1ccc(N2CCN(c3ncnc4cc(OCCN5CCOCC5)ccc34)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 6/20 0.53
AURKA O14965 1/20 0.52
ILK Q13418 1/20 0.51
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
SCN1A P35498 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN2A Q99250 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SCN3A Q9NY46 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
PDGFRB P09619 5/20 0.47
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
FGFR1 P11362 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
SCHEMBL3398407 0.85 PDGFRB (0.67) PDGFRB
SCHEMBL3364014 0.81 PDGFRB (0.67) AURKAPDGFRBFGFR1SRCGAK
SCHEMBL7197973 0.80 PDGFRB (0.54) PRKDCAURKAHRH3PDGFRB
SCHEMBL13841371 0.79 NPC1 (0.57) ILKALDH1A1FGFR1SRC
SCHEMBL3367320 0.77 PDGFRB (0.54) AURKAILKPDGFRBFGFR1SRC
SCHEMBL15483915 0.77 ILK (0.55) AURKAILKALDH1A1FGFR1SRC
SCHEMBL5907744 0.77 PDGFRB (0.66) PDGFRBFGFR1SRCGAK
SCHEMBL4690065 0.77 KDM4E (0.54) ILKALDH1A1FGFR1SRC
SCHEMBL4507750 0.77 KDM4E (0.61) ILKALDH1A1SIGMAR1FGFR1SRC
SCHEMBL3367276 0.76 PDGFRB (0.66) PDGFRBFGFR1SRCGAK

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-1309569-B1 N-aryl-{4-[7-(alkoxy)quinazolin-4-yl]piperazinyl}carboxamide derivatives as PDGFRs inhibitors MILLENNIUM PHARM INC (US) 2010-10-06 EP claimed
EP-1309569-B1 N-aryl-{4-[7-(alkoxy)quinazolin-4-yl]piperazinyl}carboxamide derivatives as PDGFRs inhibitors MILLENNIUM PHARM INC (US) 2010-10-06 EP disclosed