SCHEMBL11201732

SCHEMBL11201732

CCc1cc2c(N(C(C)C)C(C)C)nc(N3CCNCC3)nc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TMIGD3 P0DMS9 2/20 0.41
RAB9A P51151 1/20 0.41
HTR6 P50406 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 2/20 0.38
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
ADORA1 P30542 1/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.35
CASP4 P49662 1/20 0.35
CASP5 P51878 1/20 0.35
HTT P42858 2/20 0.35
ALOX15 P16050 1/20 0.34
MAPK1 P28482 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
SCHEMBL11206049 0.87 P2RY12 (0.50) P2RY12SMN1; SMN2KDM4ETMIGD3RAB9A
SCHEMBL11202546 0.86 P2RY12 (0.49) P2RY12SMN1; SMN2KDM4ETMIGD3RAB9A
SCHEMBL11203621 0.82 P2RY12 (0.49) P2RY12SMN1; SMN2KDM4ETMIGD3RAB9A
SCHEMBL11204811 0.82 P2RY12 (0.47) P2RY12SMN1; SMN2KDM4ETMIGD3RAB9A
SCHEMBL11197610 0.80 P2RY12 (0.52) P2RY12SMN1; SMN2KDM4ETMIGD3RAB9A
SCHEMBL11198078 0.80 P2RY12 (0.48) P2RY12SMN1; SMN2KDM4ETMIGD3RAB9A
SCHEMBL11197165 0.79 P2RY12 (0.49) P2RY12SMN1; SMN2KDM4ETMIGD3RAB9A
SCHEMBL11199721 0.78 P2RY12 (0.50) P2RY12SMN1; SMN2KDM4ETMIGD3RAB9A
SCHEMBL11205948 0.76 P2RY12 (0.48) P2RY12SMN1; SMN2KDM4ETMIGD3RAB9A
SCHEMBL11203169 0.75 P2RY12 (0.48) P2RY12SMN1; SMN2KDM4ETMIGD3RAB9A

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