SCHEMBL7820128

SCHEMBL7820128

O=C1Nc2cccc(-c3ccc(Cl)cc3Cl)c2/C1=C/c1ccc[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 6/20 0.63
KDR P35968 7/20 0.58
PDPK1 O15530 7/20 0.58
FLT3 P36888 5/20 0.56
RET P07949 5/20 0.56
AURKB Q96GD4 4/20 0.56
JAK3 P52333 3/20 0.56
NTRK1 P04629 3/20 0.56
FLT1 P17948 3/20 0.56
ALK Q9UM73 3/20 0.56
TLK2 Q86UE8 3/20 0.56
CHEK1 O14757 2/20 0.56
DAPK3 O43293 2/20 0.56
MAP4K4 O95819 2/20 0.56
LCK P06239 2/20 0.56
CSF1R P07333 2/20 0.56
FGFR1 P11362 2/20 0.56
LTK P29376 2/20 0.56
RPS6KA3 P51812 2/20 0.56
MAP2K1 Q02750 2/20 0.56

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
SCHEMBL7820130 1.00 PDGFRB (0.63) PDGFRBKDRPDPK1FLT3RET
SCHEMBL7819653 0.85 PDGFRB (0.61) PDGFRBKDRPDPK1FLT3RET
SCHEMBL7819655 0.85 PDGFRB (0.61) PDGFRBKDRPDPK1FLT3RET
SCHEMBL7827772 0.85 KDR (0.62) PDGFRBKDRPDPK1FLT3RET
SCHEMBL7827773 0.85 KDR (0.62) PDGFRBKDRPDPK1FLT3RET
SCHEMBL5728402 0.80 PDGFRB (0.80) PDGFRBKDRPDPK1FLT3RET
SCHEMBL5728403 0.80 PDGFRB (0.80) PDGFRBKDRPDPK1FLT3RET
SCHEMBL7828266 0.80 PDPK1 (0.81) PDGFRBKDRPDPK1FLT3RET
SCHEMBL7828264 0.80 PDPK1 (0.81) PDGFRBKDRPDPK1FLT3RET
SCHEMBL7819646 0.78 PDPK1 (0.68) PDGFRBKDRPDPK1FLT3RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6307056-B1 INHIBIT OR MODULATE PROTEIN KINASES, IN PARTICULAR JNK PROTEIN KINASES. HOFFMAN-LA ROCHE INC. 2001-10-23 US 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