SCHEMBL8530320

SCHEMBL8530320

N#Cc1ccc2c(c1)C(=Cc1ccnc3ccccc13)C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.55
MDM2 Q00987 2/20 0.45
CHEK1 O14757 1/20 0.43
TLK2 Q86UE8 2/20 0.43
RET P07949 4/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FLT3 P36888 2/20 0.41
GSK3B P49841 3/20 0.40
LCK P06239 2/20 0.40
KDR P35968 2/20 0.40
LRRK2 Q5S007 2/20 0.40
ALK Q9UM73 2/20 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
SCHEMBL8529758 0.83 PDPK1 (0.52) PDPK1CHEK1RETPSEN1PSEN2
SCHEMBL7131127 0.83 NTRK1 (0.47) CHEK1RETTDP1MEN1KMT2A
SCHEMBL8508649 0.83 RPS6KA3 (0.54) PDPK1CHEK1RETTDP1MEN1
SCHEMBL5728227 0.82 CHEK1 (0.60) CHEK1TLK2RETTDP1MEN1
SCHEMBL5728224 0.82 CHEK1 (0.60) CHEK1TLK2RETTDP1MEN1
SCHEMBL15503691 0.82 CHEK1 (0.60) CHEK1TLK2RETTDP1MEN1
SCHEMBL8528501 0.80 CHEK1 (0.43) PDPK1CHEK1RETTDP1MEN1
SCHEMBL8530158 0.80 RET (0.45) PDPK1CHEK1RETTDP1MEN1
SCHEMBL8530156 0.80 PDPK1 (0.55) PDPK1CHEK1RETTDP1MEN1
SCHEMBL8301615 0.80 TLK2 (0.58) PDPK1TLK2MEN1KMT2AKDR

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 1 patent. 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