SCHEMBL4754963

SCHEMBL4754963

NC(=O)c1c(C(F)(F)F)nsc1N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.39
PDGFRB P09619 3/20 0.39
HSD17B10 Q99714 3/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
RECQL P46063 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
SCHEMBL4755583 0.81 KDR (0.38) KDRPDGFRBHSD17B10KDM4EALDH1A1
SCHEMBL4758106 0.79 CISD2 (0.39) HSD17B10HTTKDM4EALDH1A1MAPT
SCHEMBL10500542 0.71 KDR (0.43) KDRPDGFRBHSD17B10HTTKDM4E
SCHEMBL3863859 0.69 KDR (0.45) KDRPDGFRBHSD17B10HTTKDM4E
SCHEMBL5741265 0.65 MLYCD (0.40) HSD17B10HTTKMT2AMEN1
SCHEMBL8842813 0.65 HSD17B10 (0.32) HSD17B10HTTKDM4EALDH1A1HPGD
SCHEMBL16049222 0.65 GPR35 (0.35)
SCHEMBL7817180 0.65 GAA (0.34) HTTALDH1A1
SCHEMBL14697805 0.65 KDR (0.58) KDRPDGFRBKDM4EALDH1A1MAPT
SCHEMBL31735685 0.63 POLB (0.45) KDM4EALDH1A1KMT2AHPGDMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009001214-A2 THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, ISOXAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE AND ISOTHIAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-12-31 WO disclosed
WO-2009001214-A2 THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, ISOXAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE AND ISOTHIAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-12-31 WO disclosed