SCHEMBL2632836

SCHEMBL2632836

CCc1ncc2c(n1)NC(=O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
KDR P35968 8/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
LTK P29376 1/20 0.40
GRK5 P34947 1/20 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
SCHEMBL5496314 0.87 PDE3B (0.40) PDE3BPDE3AKDRCHEK1AURKA
SCHEMBL1763775 0.83 PDE3B (0.37) PDE3BPDE3AKDRCHEK1AURKA
SCHEMBL4044760 0.77 PDE3B (0.48) PDE3BPDE3AKDRCHEK1AURKA
SCHEMBL18238728 0.75 PDE3B (0.42) PDE3BPDE3AKDRCHEK1AURKA
SCHEMBL661744 0.74 KDR (0.42) PDE3BPDE3AKDRCHEK1AURKA
SCHEMBL19304220 0.73 MEN1 (0.33) KDRMEN1LMNAMAPTKMT2A
SCHEMBL2625476 0.73 PDE3B (0.41) PDE3BPDE3AKDRCHEK1AURKA
SCHEMBL13425021 0.73 NR3C2 (0.45) LMNAMAPT
SCHEMBL13425045 0.73 PDE3B (0.42) PDE3BPDE3AGSK3AGSK3BMEN1
SCHEMBL19153232 0.71 PDE3B (0.42) PDE3BPDE3AKDRCHEK1AURKA

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
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed