SCHEMBL9318299

SCHEMBL9318299

Cc1nc(CCCCn2cnc3c2c(=O)[nH]c(=O)n3C)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PDE4A P27815 3/20 0.47
ADORA2A P29274 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
CYP3A4 P08684 1/20 0.47
PMP22 Q01453 1/20 0.47
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
ADORA2B P29275 2/20 0.39

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
SCHEMBL9317709 0.97 MAPK1 (0.61) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL9318294 0.92 SMN1; SMN2 (0.56) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL9318253 0.87 SMN1; SMN2 (0.53) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL9318745 0.83 MAPK1 (0.51) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL10649455 0.82 ADORA2B (0.62) MAPK1LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL9318113 0.81 SMN1; SMN2 (0.55) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL10649548 0.81 ADORA2B (0.60) MAPK1LMNAKMT2AALDH1A1ADORA2B
SCHEMBL9317986 0.79 MAPK1 (0.54) MAPK1LMNAKDM4EPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL9318180 0.79 MAPK1 (0.53) MAPK1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL10649350 0.78 ADORA2B (0.61) MAPK1LMNASMN1; SMN2KMT2AALDH1A1

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-0264081-B1 Oxadiazolyl alkyl purin derivatives, their preparation and their use in pharmaceutical compositions CHINOIN GYOGYSZER ES VEGYESZET (HU) 1994-01-05 EP claimed
EP-0264081-A2 Oxadiazolyl alkyl purin derivatives, their preparation and their use in pharmaceutical compositions CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-04-20 EP claimed