SCHEMBL7820201

SCHEMBL7820201

Nc1cccc(-c2cccc3c2/C(=C/c2ccc[nH]2)C(=O)N3)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 10/20 0.62
KDR P35968 6/20 0.62
RET P07949 5/20 0.61
ALK Q9UM73 4/20 0.61
FLT3 P36888 3/20 0.61
PDGFRB P09619 6/20 0.57
JAK3 P52333 4/20 0.57
FLT1 P17948 3/20 0.57
AURKB Q96GD4 3/20 0.57
CHEK1 O14757 2/20 0.57
DAPK3 O43293 2/20 0.57
MAP4K4 O95819 2/20 0.57
NTRK1 P04629 2/20 0.57
LCK P06239 2/20 0.57
CSF1R P07333 2/20 0.57
FGFR1 P11362 2/20 0.57
LTK P29376 2/20 0.57
RPS6KA3 P51812 2/20 0.57
MAP2K1 Q02750 2/20 0.57
MST1R Q04912 2/20 0.57

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
SCHEMBL7820202 1.00 PDPK1 (0.62) PDPK1KDRRETALKFLT3
Hydrochloric Acid SCHEMBL7828464 0.99 PDPK1 (0.61) PDPK1KDRRETALKFLT3
Hydrochloric Acid SCHEMBL7828467 0.99 PDPK1 (0.61) PDPK1KDRRETALKFLT3
SCHEMBL7819646 0.87 PDPK1 (0.68) PDPK1KDRRETALKFLT3
SCHEMBL7819649 0.87 PDPK1 (0.68) PDPK1KDRRETALKFLT3
SCHEMBL7819655 0.86 PDGFRB (0.61) PDPK1KDRRETALKFLT3
SCHEMBL7819653 0.86 PDGFRB (0.61) PDPK1KDRRETALKFLT3
SCHEMBL7830771 0.84 PDPK1 (0.65) PDPK1KDRRETALKFLT3
SCHEMBL7830774 0.84 PDPK1 (0.65) PDPK1KDRRETALKFLT3
SCHEMBL7827787 0.83 PDPK1 (0.56) PDPK1KDRRETALKFLT3

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 7 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
US-6307056-B1 INHIBIT OR MODULATE PROTEIN KINASES, IN PARTICULAR JNK PROTEIN KINASES. HOFFMAN-LA ROCHE INC. 2001-10-23 US claimed
WO-2000035909-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO claimed
EP-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed
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