SCHEMBL9350641

SCHEMBL9350641

CC(=O)CCn1cnc2c1c(=O)n(CC1CC1)c(=O)n2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 1/20 0.53
KMT2A Q03164 7/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
PDE5A O76074 1/20 0.53
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PKM P14618 1/20 0.51
POLB P06746 1/20 0.49

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
SCHEMBL9350633 0.90 KMT2A (0.57) CNOT7KMT2AMEN1ALDH1A1HPGD
SCHEMBL9350644 0.85 PDE4A (0.57) KMT2ATSHRMAPK1PDE4APDE4B
SCHEMBL556890 0.83 PDE5A (0.63) CNOT7KMT2AMEN1ALDH1A1HPGD
SCHEMBL10693479 0.83 PDE4A (0.61) CNOT7KMT2AMEN1ALDH1A1HPGD
SCHEMBL9351786 0.79 PDE4A (0.50) KMT2AALDH1A1TSHRMAPK1PDE4A
SCHEMBL10695424 0.78 KMT2A (0.51) CNOT7KMT2AMEN1ALDH1A1HPGD
SCHEMBL1457501 0.78 PDE1A (0.69) CNOT7KMT2AMEN1ALDH1A1HPGD
SCHEMBL9350760 0.78 PDE4A (0.62) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL9351794 0.76 BRD4 (0.71) CNOT7KMT2AMEN1ALDH1A1MAPK1
SCHEMBL27583005 0.75 ALDH1A1 (0.69) CNOT7ALDH1A1TSHRPDE4APDE4B

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-0369744-B1 Xanthine derivatives, process for their preparation and pharmaceutical compositions SMITHKLINE BEECHAM PHARMA GMBH (DE) 1994-09-21 EP disclosed
US-5321029-A Vascular and skin disorders; bronchodilator BEECHAM-WUELFING GMBH & CO.K.G. (DE) 1994-06-14 US disclosed
EP-0369744-A2 Xanthine derivatives, process for their preparation and pharmaceutical compositions SMITHKLINE BEECHAM PHARMA GmbH (DE) 1990-05-23 EP disclosed