SCHEMBL8528501

SCHEMBL8528501

O=C1Nc2ccc(CCl)cc2C1=Cc1ccnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
RET P07949 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
GSK3B P49841 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RPS6KA3 P51812 3/20 0.42
PDPK1 O15530 1/20 0.42
LRRK2 Q5S007 2/20 0.41
FLT3 P36888 3/20 0.41
ALK Q9UM73 2/20 0.41
NTRK1 P04629 3/20 0.40
SYK P43405 1/20 0.40
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40

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
SCHEMBL7134805 0.92 CHEK1 (0.42) CHEK1RETTDP1GSK3BMEN1
SCHEMBL8530158 0.89 RET (0.45) CHEK1RETTDP1GSK3BMEN1
SCHEMBL8530156 0.89 PDPK1 (0.55) CHEK1RETTDP1GSK3BMEN1
SCHEMBL8529758 0.83 PDPK1 (0.52) CHEK1RETTDP1MEN1KMT2A
SCHEMBL8508649 0.83 RPS6KA3 (0.54) CHEK1RETTDP1GSK3BMEN1
SCHEMBL7131127 0.83 NTRK1 (0.47) CHEK1RETTDP1GSK3BMEN1
SCHEMBL5728224 0.82 CHEK1 (0.60) CHEK1RETTDP1GSK3BMEN1
SCHEMBL15503691 0.82 CHEK1 (0.60) CHEK1RETTDP1GSK3BMEN1
SCHEMBL5728227 0.82 CHEK1 (0.60) CHEK1RETTDP1GSK3BMEN1
SCHEMBL8530320 0.80 PDPK1 (0.55) CHEK1RETTDP1GSK3BMEN1

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 3 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 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