SCHEMBL7727

SCHEMBL7727

Nc1ncnc2c1ncn2CCc1oc2ccc(F)cc2c(=O)c1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.47
NSD2 O96028 4/20 0.44
NSD3 Q9BZ95 3/20 0.44
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 3/20 0.40
PI4KA P42356 3/20 0.39
PI4K2B Q8TCG2 3/20 0.39
PI4K2A Q9BTU6 3/20 0.39
PI4KB Q9UBF8 3/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2B P29275 1/20 0.39
PIK3CD O00329 3/20 0.38
ERBB2 P04626 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL15689097 0.93 ADORA2A (0.48) ADORA2ANSD2NSD3LMNAHPGD
SCHEMBL8661 0.92 NSD2 (0.49) ADORA2ANSD2NSD3LMNAHPGD
SCHEMBL8598 0.89 ADORA2A (0.51) ADORA2ANSD2NSD3LMNAHPGD
SCHEMBL8479 0.88 ADORA2A (0.44) ADORA2ANSD2NSD3LMNAHPGD
SCHEMBL8770 0.87 NSD2 (0.47) ADORA2ANSD2NSD3LMNAHPGD
SCHEMBL9179 0.84 ADORA2A (0.47) ADORA2ANSD2NSD3LMNAHPGD
SCHEMBL9193 0.84 PI4KA (0.47) ADORA2ANSD2NSD3LMNAEGFR
SCHEMBL30670897 0.84 PI4KA (0.47) ADORA2ANSD2NSD3LMNAEGFR
SCHEMBL8248 0.83 NSD2 (0.46) ADORA2ANSD2NSD3EGFRPI4KA
SCHEMBL30670834 0.83 NSD2 (0.46) 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