SCHEMBL8528465

SCHEMBL8528465

O=C1Nc2ccc(OCC(O)CO)cc2C1=Cc1ccnc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.42
MDM2 Q00987 4/20 0.42
TLK2 Q86UE8 3/20 0.40
ALK Q9UM73 2/20 0.40
PAK4 O96013 3/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
NTRK1 P04629 2/20 0.38
CHEK1 O14757 2/20 0.38
CDC7 O00311 1/20 0.38
EEF2K O00418 1/20 0.38
PLK4 O00444 1/20 0.38
IKBKB O14920 1/20 0.38
DCLK1 O15075 1/20 0.38
CHUK O15111 1/20 0.38
MAPK13 O15264 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38

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
SCHEMBL8526481 0.83 TLK2 (0.43) MDM2TLK2CHEK1RETGSK3B
SCHEMBL8530485 0.83 DHFR (0.42) DHFRTLK2PAK4NTRK1CHEK1
SCHEMBL8586259 0.82 NTRK1 (0.57) DHFRALKPAK4NTRK1CHEK1
SCHEMBL8586257 0.82 NTRK1 (0.57) DHFRALKPAK4NTRK1CHEK1
SCHEMBL7551548 0.82 CHEK1 (0.60) DHFRTLK2ALKPAK4NTRK1
SCHEMBL7551557 0.82 CHEK1 (0.60) DHFRTLK2ALKPAK4NTRK1
SCHEMBL8528517 0.81 TLK2 (0.42) MDM2TLK2ALKNTRK1CHEK1
SCHEMBL8530158 0.80 RET (0.45) DHFRALKNTRK1CHEK1PLK4
SCHEMBL8529758 0.79 PDPK1 (0.52) NTRK1CHEK1PLK4PDPK1RET
SCHEMBL8528501 0.78 CHEK1 (0.43) ALKNTRK1CHEK1PDPK1DAPK3

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
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
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