SCHEMBL806102

SCHEMBL806102

Bc1cccc(Nc2nnc(-c3ccc(C(=O)OC)cc3)c3ccccc23)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.68
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KLK7 P49862 1/20 0.52
KLK14 Q9P0G3 1/20 0.52
TP53 P04637 1/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 1/20 0.51
BRAF P15056 1/20 0.51
HTT P42858 1/20 0.51
PRNP P04156 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL806036 0.88 KDR (0.67) KDRMEN1KMT2AMAPTNPSR1
SCHEMBL806125 0.88 KDR (0.72) KDRMEN1KMT2AMAPTNPSR1
SCHEMBL806103 0.88 KDR (0.78) KDRMEN1KMT2AMAPTNPSR1
SCHEMBL788175 0.87 KDR (0.78) KDRMEN1KMT2AMAPTNPSR1
SCHEMBL788057 0.87 KDR (0.77) KDRMEN1KMT2AMAPTNPSR1
SCHEMBL788243 0.86 KDR (0.66) KDRMEN1KMT2AMAPTNPSR1
SCHEMBL788156 0.86 KDR (0.67) KDRMEN1KMT2AMAPTNPSR1
SCHEMBL794208 0.85 KDR (0.79) KDRMEN1KMT2AMAPTNPSR1
SCHEMBL787948 0.85 KDR (0.66) KDRMEN1KMT2AMAPTNPSR1
SCHEMBL787703 0.85 KDR (0.66) KDRMEN1KMT2AMAPTNPSR1

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-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO disclosed