SCHEMBL11204604

SCHEMBL11204604

CCCc1cc2c(NC)nc(N3CCNCC3)nc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.42
IKBKB O14920 2/20 0.38
CHUK O15111 1/20 0.38
PDGFRA P16234 1/20 0.38
EPHA3 P29320 1/20 0.38
HTR2C P28335 1/20 0.38
KHK P50053 1/20 0.36
CETP P11597 1/20 0.36
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
PLK4 O00444 1/20 0.36
PAK4 O96013 1/20 0.36
HTR2A P28223 1/20 0.36
KDM4E B2RXH2 2/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR3A P46098 2/20 0.35
HRH4 Q9H3N8 2/20 0.35
TMIGD3 P0DMS9 1/20 0.35

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
SCHEMBL11201826 0.93 CETP (0.42) P2RY12IKBKBCHUKPDGFRAEPHA3
SCHEMBL11199721 0.91 P2RY12 (0.50) P2RY12HTR2CKHKCASP1CASP4
SCHEMBL11205063 0.83 KDM4E (0.47) P2RY12IKBKBCHUKPDGFRAEPHA3
SCHEMBL11206200 0.83 HTR3A (0.38) P2RY12KDM4EBRD4ALDH1A1HTR3A
SCHEMBL11197165 0.82 P2RY12 (0.49) P2RY12HTR2CCASP1CASP4CASP5
SCHEMBL11202691 0.82 KHK (0.42) HTR2CKHKCASP1CASP4CASP5
Hydrochloric Acid SCHEMBL11201994 0.81 KHK (0.41) HTR2CKHKCASP1CASP4CASP5
SCHEMBL11203169 0.81 P2RY12 (0.48) P2RY12HTR2CKHKKDM4EALDH1A1
SCHEMBL11204697 0.80 P2RY12 (0.47) P2RY12HTR2CKHKKDM4EALDH1A1
SCHEMBL11203359 0.79 P2RY12 (0.47) P2RY12KHKKDM4EALDH1A1HRH4

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
EP-0082023-A2 Thienopyrimidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1983-06-22 EP disclosed