SCHEMBL8928253

SCHEMBL8928253

CC1=C(C#N)C(c2ccc(-n3ccnc3)cc2)C(C#N)=C(C)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.52
PDE3A Q14432 4/20 0.52
PDE2A O00408 2/20 0.52
PDE1A P54750 2/20 0.52
PDE1B Q01064 2/20 0.52
PDE1C Q14123 2/20 0.52
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
MET P08581 1/20 0.45
RPS6KA3 P51812 1/20 0.45
ENPP2 Q13822 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
NOTUM Q6P988 1/20 0.42
CHRNA7 P36544 1/20 0.41
CYP3A4 P08684 3/20 0.41
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL8860432 0.85 POLB (0.49) PDE3BPDE3APDE2APDE1APDE1B
Hydrochloric Acid SCHEMBL8928281 0.84 POLB (0.48) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7817348 0.78 MET (0.59) POLBMAPK1SMN1; SMN2MAPTLMNA
SCHEMBL10667172 0.77 CUL4A (0.57) POLBMAPK1SMN1; SMN2MAPTMET
SCHEMBL8782120 0.76 ADH5 (0.51) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL18331430 0.76 RAB9A (0.41) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL8928204 0.76 CACNA1C (0.40) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL20279529 0.76 ENPP2 (0.40) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL18331146 0.74 ALDH1A1 (0.46) POLBSMN1; SMN2MAPTLMNACYP3A4
SCHEMBL7820657 0.73 KDM4E (0.61) POLBMAPK1SMN1; SMN2MAPTMET

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-0755931-A1 Dihydropyridine and pyridine derivatives and process for their preparation PHARMACIA & UPJOHN S.p.A. (IT) 1997-01-29 EP claimed
EP-0755931-A1 Dihydropyridine and pyridine derivatives and process for their preparation PHARMACIA & UPJOHN S.p.A. (IT) 1997-01-29 EP disclosed