SCHEMBL7723016

SCHEMBL7723016

CSc1ncc2c(=O)[nH]c(-c3ccccc3OCC(C)C)nc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
PDE5A O76074 16/20 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
GUSB P08236 1/20 0.47
PDE10A Q9Y233 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PDE2A O00408 1/20 0.43
PDE6D O43924 1/20 0.43
USP2 O75604 1/20 0.43
PDE9A O76083 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL7726863 0.88 MEN1 (0.64) MEN1KMT2APDE5APDE4APDE4B
SCHEMBL147134 0.86 PDE5A (0.69) MEN1KMT2APDE5APDE4APDE4B
SCHEMBL7718573 0.86 MEN1 (0.67) MEN1KMT2APDE5AGUSB
SCHEMBL7722744 0.84 MEN1 (0.59) MEN1KMT2APDE5APDE4APDE4B
SCHEMBL7723392 0.84 MEN1 (0.58) MEN1KMT2APDE5APDE4APDE4B
SCHEMBL7723452 0.83 PDE5A (0.53) MEN1KMT2APDE5APDE4APDE4B
SCHEMBL7965341 0.73 PDE5A (0.55) MEN1KMT2APDE5APDE4APDE4B
SCHEMBL7725988 0.72 PDE5A (0.72) MEN1KMT2APDE5APDE4APDE4B
SCHEMBL7721585 0.71 PDE5A (0.71) MEN1KMT2APDE5APDE4APDE4B
SCHEMBL7718066 0.71 PDE5A (0.71) MEN1KMT2APDE5APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351058-B1 PYRIMIDOPYRIMIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-06-02 EP claimed
EP-0351058-A1 Pyrimidopyrimidine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-17 EP claimed
US-6391885-B1 CONTROLLING APOPTOSIS IN AUTOIMMUNE DISEASE CELL PATHWAYS, INC. 2002-05-21 US disclosed
US-6060477-A Method of treating a patient having precancerous lesions with phenyl cycloamino pyrimidinone derivatives CELL PATHWAYS, INC. (US) 2000-05-09 US disclosed
EP-0351058-B1 PYRIMIDOPYRIMIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-06-02 EP disclosed
US-5162316-A Pyrimido[4,5-d]pyrimidine derivatives for use as bronchodilators SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-11-10 US disclosed
EP-0351058-A1 Pyrimidopyrimidine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-17 EP disclosed