SCHEMBL7718573

SCHEMBL7718573

COc1ccccc1-c1nc2nc(SC)ncc2c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
PDE5A O76074 6/20 0.50
FGFR1 P11362 2/20 0.50
FGFR2 P21802 2/20 0.50
ALPL P05186 1/20 0.50
AURKA O14965 1/20 0.48
GUSB P08236 2/20 0.46
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.42
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42

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 0.89 MEN1 (0.64) MEN1KMT2APDE5AGUSB
SCHEMBL147134 0.87 PDE5A (0.69) MEN1KMT2APDE5A
SCHEMBL7723016 0.86 MEN1 (0.60) MEN1KMT2APDE5AGUSB
SCHEMBL7722744 0.85 MEN1 (0.59) MEN1KMT2APDE5AGUSB
SCHEMBL7723392 0.84 MEN1 (0.58) MEN1KMT2APDE5AGUSB
SCHEMBL7721598 0.81 PDE5A (0.50) MEN1KMT2APDE5AFGFR1FGFR2
SCHEMBL7723384 0.80 ALPL (0.51) MEN1KMT2APDE5AFGFR1FGFR2
SCHEMBL7726177 0.74 PDE5A (0.70) MEN1KMT2APDE5AGUSB
SCHEMBL1084872 0.73 GUSB (0.78) GUSBTNKSTNKS2PARP2
SCHEMBL29740691 0.73 GUSB (0.78) GUSBTNKSTNKS2PARP2

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 6 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
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