SCHEMBL8530485

SCHEMBL8530485

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.42
NTRK1 P04629 5/20 0.41
TLK2 Q86UE8 6/20 0.41
PDK1 Q15118 1/20 0.40
CHEK1 O14757 1/20 0.40
PAK4 O96013 2/20 0.39
PAK1 Q13153 2/20 0.39

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
SCHEMBL8585839 0.85 TLK2 (0.49) TLK2PDK1PAK1
SCHEMBL7552071 0.83 CHEK1 (0.60) DHFRNTRK1TLK2PDK1CHEK1
SCHEMBL7552077 0.83 CHEK1 (0.60) DHFRNTRK1TLK2PDK1CHEK1
SCHEMBL8528465 0.83 DHFR (0.42) DHFRNTRK1TLK2CHEK1PAK4
SCHEMBL8583955 0.81 NTRK1 (0.57) DHFRNTRK1CHEK1PAK1
SCHEMBL8583949 0.81 NTRK1 (0.57) DHFRNTRK1CHEK1PAK1
SCHEMBL8614775 0.81 NTRK1 (0.44) NTRK1TLK2PDK1CHEK1
SCHEMBL8527884 0.80 AKT2 (0.58) TLK2PDK1
SCHEMBL8590004 0.80 TLK2 (0.41) NTRK1TLK2PDK1CHEK1PAK1
SCHEMBL8530158 0.80 RET (0.45) DHFRNTRK1CHEK1

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