SCHEMBL7832020

SCHEMBL7832020

O=C1Nc2ccc(F)c(-c3ccc(O)cc3)c2/C1=C/c1ccc[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.60
PDGFRB P09619 6/20 0.60
RET P07949 5/20 0.60
CHEK1 O14757 4/20 0.60
JAK3 P52333 4/20 0.60
AURKB Q96GD4 3/20 0.60
FLT1 P17948 3/20 0.60
NTRK1 P04629 3/20 0.60
ALK Q9UM73 3/20 0.60
PDGFRA P16234 2/20 0.60
DAPK3 O43293 2/20 0.60
MAP4K4 O95819 2/20 0.60
LCK P06239 2/20 0.60
CSF1R P07333 2/20 0.60
FGFR1 P11362 2/20 0.60
LTK P29376 2/20 0.60
RPS6KA3 P51812 2/20 0.60
MAP2K1 Q02750 2/20 0.60
MST1R Q04912 2/20 0.60
TYRO3 Q06418 2/20 0.60

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
SCHEMBL7832022 1.00 KDR (0.60) KDRPDGFRBRETCHEK1JAK3
SCHEMBL7830665 0.81 PDPK1 (0.69) KDRPDGFRBRETCHEK1JAK3
SCHEMBL7830669 0.81 PDPK1 (0.69) KDRPDGFRBRETCHEK1JAK3
SCHEMBL6970326 0.80 PDPK1 (0.60) KDRPDGFRBRETCHEK1JAK3
SCHEMBL6970332 0.80 PDPK1 (0.60) KDRPDGFRBRETCHEK1JAK3
SCHEMBL7830171 0.78 CCNE1 (0.71)
SCHEMBL7830168 0.78 CCNE1 (0.71)
SCHEMBL16231610 0.76 PDPK1 (0.61) KDRPDGFRBRETCHEK1JAK3
SCHEMBL5728638 0.75 PDPK1 (1.00) KDRPDGFRBRETCHEK1JAK3
SCHEMBL5728634 0.75 PDPK1 (1.00) KDRPDGFRBRETCHEK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149093-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP claimed
WO-2000035909-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO claimed
EP-1149093-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6307056-B1 INHIBIT OR MODULATE PROTEIN KINASES, IN PARTICULAR JNK PROTEIN KINASES. HOFFMAN-LA ROCHE INC. 2001-10-23 US disclosed
WO-2000035909-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed