SCHEMBL9955095

SCHEMBL9955095

O=C(c1ccccc1)N1CCc2nc(Nc3cccc(F)c3)ncc2C1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.84
PDGFRB P09619 10/20 0.71
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSP90AB1 P08238 1/20 0.51
JAK2 O60674 2/20 0.50
SRC P12931 2/20 0.50
TP53 P04637 1/20 0.49
CCNT1 O60563 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK9 P50750 1/20 0.49

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
SCHEMBL17635122 0.92 KDR (1.00) KDRPDGFRBHPGDHSP90AB1CCNT1
SCHEMBL9955600 0.90 KDR (0.74) KDRPDGFRBTP53
SCHEMBL9955257 0.88 PDGFRB (0.71) KDRPDGFRBHSP90AB1JAK2SRC
SCHEMBL17635116 0.88 PDGFRB (0.71) KDRPDGFRBSMN1; SMN2TP53
SCHEMBL9955068 0.84 KDR (0.69) KDRPDGFRBJAK2
SCHEMBL17620622 0.83 PDGFRB (1.00) KDRPDGFRBHPGDTP53
SCHEMBL3536379 0.82 KDR (0.64) KDRPDGFRBALDH1A1HPGDSMN1; SMN2
SCHEMBL17635120 0.80 PDGFRB (1.00) KDRPDGFRB
SCHEMBL17620628 0.78 KDR (1.00) KDRPDGFRBALDH1A1CDK2
SCHEMBL9954102 0.78 MAOB (0.61) KDRPDGFRBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085167-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 WO disclosed