SCHEMBL8598

SCHEMBL8598

Nc1ncnc2c1ncn2CCc1oc2ccc(F)cc2c(=O)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.51
NSD2 O96028 3/20 0.45
NSD3 Q9BZ95 3/20 0.45
EGFR P00533 3/20 0.44
PI4KA P42356 2/20 0.43
PI4K2B Q8TCG2 2/20 0.43
PI4K2A Q9BTU6 2/20 0.43
PI4KB Q9UBF8 2/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CD O00329 4/20 0.41
PIK3R2 O00459 2/20 0.41
PIK3CG P48736 2/20 0.41
ADORA1 P30542 2/20 0.40
ADORA2B P29275 1/20 0.40
PIK3R1 P27986 1/20 0.39
ERBB2 P04626 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL9179 0.95 ADORA2A (0.47) ADORA2ANSD2NSD3EGFRPI4KA
SCHEMBL8770 0.94 NSD2 (0.47) ADORA2ANSD2NSD3EGFRPI4KA
SCHEMBL30013159 0.91 ADORA2A (0.49) ADORA2ANSD2NSD3EGFRPI4KA
SCHEMBL8903 0.91 ADORA2A (0.49) ADORA2ANSD2NSD3EGFRPI4KA
SCHEMBL15688607 0.91 ADORA2A (0.55) ADORA2ANSD2NSD3EGFRPI4KA
SCHEMBL8575 0.90 ADORA2A (0.46) ADORA2ANSD2NSD3EGFRPI4KA
SCHEMBL8148 0.90 ADORA2A (0.50) ADORA2ANSD2NSD3EGFRPI4KA
SCHEMBL8117 0.90 ADORA2A (0.49) ADORA2ANSD2NSD3EGFRPI4KA
SCHEMBL7727 0.89 ADORA2A (0.47) ADORA2ANSD2NSD3EGFRPI4KA
SCHEMBL8842 0.88 ADORA2A (0.47) ADORA2ANSD2NSD3EGFRPI4KA

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-2496567-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2012-09-12 EP claimed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO claimed
EP-4292596-A1 METHOD AND COMBINATION FOR TREATING TUMORS Curon Biopharmaceutical (Shanghai) Co., Limited (CN) 2023-12-20 EP disclosed
EP-2916868-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A PDE4 INHIBITOR AND A PI3 DELTA OR DUAL PI3 DELTA-GAMMA KINASE INHIBITOR Rhizen Pharmaceuticals S.A. (CH) 2015-09-16 EP disclosed
WO-2014072937-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A PDE4 INHIBITOR AND A PI3 DELTA OR DUAL PI3 DELTA-GAMMA KINASE INHIBITOR RHIZEN PHARMACEUTICALS SA (CH) 2014-05-15 WO disclosed
EP-2496567-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2012-09-12 EP disclosed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO disclosed