SCHEMBL806038

SCHEMBL806038

C#Cc1cccc(Nc2nnc(-c3ccc(C(=O)OC)cc3)c3ccccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.64
MAPT P10636 5/20 0.54
TP53 P04637 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
KLK7 P49862 1/20 0.49
KLK14 Q9P0G3 1/20 0.49
PRNP P04156 1/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL787640 0.90 KDR (0.64) KDRMAPTTP53MEN1KMT2A
SCHEMBL806125 0.85 KDR (0.72) KDRMAPTMEN1KMT2ANPSR1
SCHEMBL806103 0.85 KDR (0.78) KDRMAPTTP53MEN1KMT2A
SCHEMBL788175 0.84 KDR (0.78) KDRMAPTMEN1KMT2ANPSR1
SCHEMBL806102 0.84 KDR (0.68) KDRMAPTTP53MEN1KMT2A
SCHEMBL788057 0.84 KDR (0.77) KDRMAPTTP53MEN1KMT2A
SCHEMBL788156 0.83 KDR (0.67) KDRMAPTTP53MEN1KMT2A
SCHEMBL787703 0.82 KDR (0.66) KDRMAPTTP53MEN1KMT2A
SCHEMBL787948 0.82 KDR (0.66) KDRMAPTTP53MEN1KMT2A
SCHEMBL794208 0.82 KDR (0.79) KDRMAPTTP53MEN1KMT2A

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