SCHEMBL6645541

SCHEMBL6645541

COc1ccc2nc(N)c3cncn3c2n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 18/20 0.49
PDE2A O00408 8/20 0.39
PDE5A O76074 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE3A Q14432 1/20 0.38
LCK P06239 1/20 0.36

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
SCHEMBL31040798 0.78 LCK (0.37) LCK
SCHEMBL4042246 0.75 LCK (0.35) LCK
SCHEMBL31026828 0.73 CHEK1 (0.34) LCK
SCHEMBL31060458 0.72 LCK (0.40) LCK
SCHEMBL6645545 0.69 PDE10A (0.38) PDE10APDE2ALCK
SCHEMBL31137728 0.67 LCK (0.58) LCK
SCHEMBL13806808 0.66 PDE10A (0.60) PDE10APDE2APDE5APDE7APDE3A
SCHEMBL8404003 0.66 ADK (0.37) LCK
SCHEMBL4112388 0.65 PDE10A (0.79) PDE10APDE2APDE5APDE7APDE3A
SCHEMBL4040692 0.64 LCK (0.31) LCK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066286-A4 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-02-11 EP disclosed
EP-1066286-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-01-10 EP disclosed
WO-1999045009-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-10 WO disclosed