SCHEMBL1720688

SCHEMBL1720688

O=C1CC(C(Oc2ccc(C3Nc4c(nc[nH]c4=O)N3CCC(F)F)cc2)c2cccc(F)c2)CN1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.30
KDM4A O75164 1/20 0.30
KDM4B O94953 1/20 0.30
KDM5C P41229 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30
KDM3A Q9Y4C1 1/20 0.30

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
SCHEMBL1067757 0.64 ADORA2A (0.47)
SCHEMBL1721442 0.64 PDE2A (0.34)
SCHEMBL22577660 0.64 ADORA2B (0.42)
SCHEMBL1720686 0.63 SYK (0.35)
SCHEMBL1065416 0.63 ADORA2B (0.56)
SCHEMBL2684217 0.62 ADORA2B (0.38)
SCHEMBL1065067 0.59 ADORA2A (0.44)
SCHEMBL5754524 0.59 CES2 (0.40)
SCHEMBL20475310 0.57 CYP19A1 (0.40)
SCHEMBL4407389 0.57 ADORA2B (0.59)

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-3727391-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER Impetis Biosciences Ltd. (IN) 2020-10-28 EP claimed
EP-2405917-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS Advinus Therapeutics Private Limited (IN) 2012-01-18 EP claimed
WO-2010103547-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-09-16 WO claimed
EP-3727391-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER Impetis Biosciences Ltd. (IN) 2020-10-28 EP disclosed
EP-2405917-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS Advinus Therapeutics Private Limited (IN) 2012-01-18 EP disclosed
WO-2010103547-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-09-16 WO disclosed