SCHEMBL12428936

SCHEMBL12428936

Nc1ccc2c(c1)C(c1ncnc3c1cnn3C1CCCC1)C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 8/20 0.40
ABL1 P00519 4/20 0.39
BCR P11274 2/20 0.39
EGFR P00533 4/20 0.37
BTK Q06187 2/20 0.37
RET P07949 6/20 0.36
SLC2A1 P11166 1/20 0.36
SLC2A2 P11168 1/20 0.36
SLC2A3 P11169 1/20 0.36
PDE1C Q14123 1/20 0.35
PIK3CD O00329 3/20 0.34
HCK P08631 3/20 0.34
SRC P12931 3/20 0.34
KDR P35968 3/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 3/20 0.34
MTOR P42345 3/20 0.34
PIK3CG P48736 3/20 0.34
EPHB4 P54760 3/20 0.34
PRKDC P78527 3/20 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
SCHEMBL2301396 0.89 PDE9A (0.41) PDE9AABL1BCREGFRBTK
SCHEMBL2075470 0.89 PDE9A (0.40) PDE9AABL1BCREGFRBTK
SCHEMBL2077068 0.89 PDE9A (0.40) PDE9AABL1BCREGFRBTK
SCHEMBL2075485 0.89 PDE9A (0.51) PDE9A
SCHEMBL2075106 0.88 PDE9A (0.41) PDE9AABL1BCREGFRBTK
SCHEMBL2077452 0.88 PDE9A (0.52) PDE9AABL1BCR
SCHEMBL12427745 0.88 PDE9A (0.41) PDE9AABL1BCREGFRBTK
SCHEMBL2078601 0.88 PDE9A (0.41) PDE9AABL1BCRBTKSLC2A1
SCHEMBL2078497 0.87 PDE9A (0.48) PDE9AABL1BCRSLC2A1SLC2A2
SCHEMBL2078197 0.87 RET (0.43) PDE9AABL1BCREGFRBTK

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-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed