SCHEMBL10551860

SCHEMBL10551860

O=C1CNC(c2ccc(-n3ccnc3)nc2)=NN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 11/20 0.46
▸ PDE3A Q14432 11/20 0.46
▸ CYP1A2 P05177 4/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ CYP2D6 P10635 4/20 0.46
▸ CYP2C19 P33261 4/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ PDE4A P27815 2/20 0.46
▸ PDE4B Q07343 2/20 0.46
▸ PDE4C Q08493 2/20 0.46
▸ PDE4D Q08499 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PDE2A O00408 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ ALOX5AP P20292 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ ALOX15 P16050 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
SCHEMBL10468427 0.80 PDE3B (0.69) PDE3BPDE3ACYP1A2CYP3A4CYP2D6
SCHEMBL10684945 0.78 PDE3B (0.44) PDE3BPDE3ACYP1A2CYP3A4CYP2D6
SCHEMBL10554320 0.78 PDE3B (0.46) PDE3BPDE3ACYP1A2CYP3A4CYP2D6
SCHEMBL10469492 0.76 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10550384 0.73 PDE3B (0.46) PDE3BPDE3ACYP1A2CYP3A4CYP2D6
SCHEMBL10468163 0.72 PDE3A (0.70) PDE3BPDE3ACYP1A2CYP3A4CYP2D6
SCHEMBL10631471 0.71 KMT2A (0.40) PDE3BPDE3ACYP1A2CYP3A4CYP2D6
SCHEMBL10690916 0.71 PDE3B (0.46) PDE3BPDE3ACYP1A2CYP3A4CYP2D6
SCHEMBL10553489 0.70 PDE3B (0.69) PDE3BPDE3ACYP1A2CYP3A4CYP2D6
SCHEMBL10469541 0.69 PDE3B (0.52) PDE3BPDE3ACYP1A2CYP3A4CYP2D6

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-4847251-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 — — US disclosed
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