SCHEMBL7556842

SCHEMBL7556842

C(=Cn1ncc2ccc(Oc3cccc(Nc4ccccc4)c3)cc21)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.43
SYK P43405 4/20 0.39
CSNK2A1 P68400 2/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCDIN3D Q7Z5W3 1/20 0.33
USP2 O75604 2/20 0.33
CYP1A2 P05177 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33

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
SCHEMBL5252140 0.86 KDR (0.61) KDRMEN1KMT2ALMNAMAPT
SCHEMBL7553518 0.82 KDR (0.41) KDRSYKALDH1A1HPGDBCDIN3D
SCHEMBL7554465 0.81 KDR (0.43) KDRSYKCSNK2A1CSNK2A2CSNK2B
SCHEMBL7550488 0.75 KDR (0.43) KDRLMNAMAPT
SCHEMBL7550492 0.75 KDR (0.43) KDRLMNAMAPT
SCHEMBL7556845 0.73 KDR (0.75) KDR
SCHEMBL5249048 0.72 CHEK1 (0.49) KDRMEN1ALDH1A1KMT2AMAPT
SCHEMBL5249958 0.72 CHEK1 (0.49) KDRMEN1ALDH1A1KMT2AMAPT
SCHEMBL7556048 0.71 CACNA1B (0.31) KDRBCDIN3D
SCHEMBL5249171 0.69 KDR (0.59) KDRMEN1KMT2AMAPTMAPK1

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
EP-1218348-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2002-07-03 EP disclosed
WO-2001002369-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2001-01-11 WO disclosed