SCHEMBL806036

SCHEMBL806036

Bc1cc(C)cc(Nc2nnc(-c3ccc(C(=O)OC)cc3)c3ccccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.67
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.53
KLK7 P49862 1/20 0.51
KLK14 Q9P0G3 1/20 0.51
POLB P06746 2/20 0.50
ALDH1A1 P00352 1/20 0.50
BRAF P15056 1/20 0.50
HTT P42858 1/20 0.50
PRNP P04156 1/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL787997 0.88 KDR (0.66) KDRMEN1KMT2AMAPTTP53
SCHEMBL806102 0.88 KDR (0.68) KDRMEN1KMT2AMAPTTP53
SCHEMBL806103 0.87 KDR (0.78) KDRMEN1KMT2AMAPTTP53
SCHEMBL787689 0.86 KDR (0.63) KDRMEN1KMT2AMAPTTP53
SCHEMBL15077148 0.85 KDR (0.81) KDRMEN1KMT2AMAPTTP53
SCHEMBL787384 0.81 KDR (0.67) KDRMEN1KMT2AMAPTTP53
SCHEMBL806125 0.81 KDR (0.72) KDRMEN1KMT2AMAPTPOLB
SCHEMBL806035 0.80 KDR (1.00) KDRMEN1KMT2AMAPTKLK7
SCHEMBL788057 0.80 KDR (0.77) KDRMEN1KMT2AMAPTTP53
SCHEMBL788175 0.80 KDR (0.78) KDRMEN1KMT2AMAPTKLK7

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