SCHEMBL7367727

SCHEMBL7367727

COc1ccc(-c2nn3ccncc3c2-c2ccc(=O)[nH]n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
BRD4 O60885 1/20 0.45
CCNE2 O96020 2/20 0.43
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
PDE3A Q14432 6/20 0.42
PDE5A O76074 1/20 0.42
PDE3B Q13370 4/20 0.40
PDE4B Q07343 4/20 0.39
PDE4A P27815 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL7395677 0.86 PDE3A (0.42) LMNAPDE3APDE5APDE3BPDE4B
SCHEMBL7369957 0.85 PDE3A (0.48) LMNAPDE3APDE5APDE3BPDE4B
SCHEMBL8199836 0.85 PDE3A (0.60) LMNACCNE2CDK4CCND1CCNE1
SCHEMBL7399130 0.81 PDE3A (0.45) LMNAPDE3APDE5APDE3BPDE4B
SCHEMBL7366330 0.81 PDE3A (0.40) LMNAPDE3APDE5APDE3BPDE4B
SCHEMBL7367166 0.79 BRD4 (0.44) LMNABRD4CCNE2CDK4CCND1
SCHEMBL6824619 0.78 LMNA (0.46) LMNAPDE3APDE5APDE3BPDE4B
SCHEMBL7401220 0.78 PDE3A (0.41) PDE3APDE5APDE3BGSK3BDYRK1A
SCHEMBL6818685 0.77 PDE3A (0.47) LMNAPDE3APDE5APDE4BPDE4A
SCHEMBL7363841 0.75 PDE3A (0.45) PDE3APDE5APDE3BPDE4BKDM4E

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-1244669-A1 PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-02 EP disclosed
WO-2001040230-A1 PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-07 WO disclosed