SCHEMBL8586259

SCHEMBL8586259

O=C1Nc2ccc(OCC(O)CO)cc2C1=Cc1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.57
RET P07949 4/20 0.57
NTRK3 Q16288 4/20 0.57
NTRK2 Q16620 4/20 0.57
KDR P35968 4/20 0.57
PRKD3 O94806 3/20 0.57
FLT3 P36888 3/20 0.57
CSNK1A1 P48729 3/20 0.57
AURKB Q96GD4 3/20 0.57
ABL1 P00519 2/20 0.57
PDGFRB P09619 2/20 0.57
LTK P29376 2/20 0.57
CDK7 P50613 2/20 0.57
MAP2K1 Q02750 2/20 0.57
MST1R Q04912 2/20 0.57
CLK4 Q9HAZ1 2/20 0.57
ALK Q9UM73 2/20 0.57
DAPK3 O43293 2/20 0.57
MAP4K4 O95819 2/20 0.57
LCK P06239 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
SCHEMBL8586257 1.00 NTRK1 (0.57) NTRK1RETNTRK3NTRK2KDR
SCHEMBL8813600 0.89 NTRK1 (0.67) NTRK1RETNTRK3NTRK2KDR
SCHEMBL8588045 0.89 NTRK1 (0.67) NTRK1RETNTRK3NTRK2KDR
SCHEMBL7551557 0.86 CHEK1 (0.60) NTRK1RETNTRK3NTRK2KDR
SCHEMBL7551548 0.86 CHEK1 (0.60) NTRK1RETNTRK3NTRK2KDR
SCHEMBL8528465 0.82 DHFR (0.42) NTRK1RETNTRK3NTRK2KDR
SCHEMBL8587052 0.82 NTRK1 (0.60) NTRK1RETNTRK3NTRK2KDR
SCHEMBL8587050 0.82 NTRK1 (0.60) NTRK1RETNTRK3NTRK2KDR
SCHEMBL8583955 0.81 NTRK1 (0.57) NTRK1RETNTRK3NTRK2KDR
SCHEMBL8583949 0.81 NTRK1 (0.57) NTRK1RETNTRK3NTRK2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840745-A INHIBITING CELL PROLIFERATION, TUMOR GROWTH, METASTASIS, DEVELOPMENT OF ATHEROMATOUS PLAQUE AND RESTENOSIS, CONTROLLING ANGIOGENESIS, TREATING DIABETES, ENHANCING CANCER THERAPY PHARMACIA S. P. A. (IT) 1998-11-24 US claimed
EP-0752985-A1 HYDROSOLUBLE 3-ARYLIDENE-2-OXINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1997-01-15 EP claimed
WO-1996022976-A1 HYDROSOLUBLE 3-ARYLIDENE-2-OXINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1996-08-01 WO claimed
US-5840745-A INHIBITING CELL PROLIFERATION, TUMOR GROWTH, METASTASIS, DEVELOPMENT OF ATHEROMATOUS PLAQUE AND RESTENOSIS, CONTROLLING ANGIOGENESIS, TREATING DIABETES, ENHANCING CANCER THERAPY PHARMACIA S. P. A. (IT) 1998-11-24 US disclosed
EP-0752985-A1 HYDROSOLUBLE 3-ARYLIDENE-2-OXINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1997-01-15 EP disclosed
WO-1996022976-A1 HYDROSOLUBLE 3-ARYLIDENE-2-OXINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1996-08-01 WO disclosed