SCHEMBL7831388

SCHEMBL7831388

OCCCCc1cc(OCc2cccnc2)n2nccc2n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.43
CCNE1 P24864 9/20 0.43
KDM4C Q9H3R0 1/20 0.41
IKBKB O14920 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
TYK2 P29597 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
TBXAS1 P24557 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7829229 0.89 LTA4H (0.39) CDK2CCNE1KDM4C
SCHEMBL7832591 0.87 PRKAB2 (0.35) CDK2CCNE1IKBKB
SCHEMBL7832723 0.84 CDK2 (0.42) CDK2CCNE1KDM4CHTR1ADRD2
SCHEMBL7832880 0.83 CDK2 (0.41) CDK2CCNE1KDM4CIKBKBHTR1A
SCHEMBL7830382 0.83 KDM5A (0.40) KDM4C
SCHEMBL7831747 0.81 GABRA1 (0.36) HTR1ADRD2TYK2
SCHEMBL7831370 0.81 PDE10A (0.42) KDM4C
SCHEMBL7829058 0.81 KDM4C (0.41) CDK2CCNE1KDM4CIKBKBHTR1A
SCHEMBL7820807 0.79 KDM4C (0.41) CDK2CCNE1KDM4CTYK2
SCHEMBL7835058 0.79 TUBB1 (0.38)

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-0820997-B1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2001-07-25 EP disclosed
US-5985882-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
EP-0820997-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-28 EP disclosed