SCHEMBL5849994

SCHEMBL5849994

Nc1ccc2c(c1)/C(=C/c1c[nH]cn1)C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.55
ALK Q9UM73 4/20 0.55
FLT3 P36888 3/20 0.55
PDPK1 O15530 2/20 0.54
RPS6KA3 P51812 2/20 0.53
DHFR P00374 1/20 0.44
GSK3B P49841 3/20 0.43
CHEK1 O14757 2/20 0.42
PIM1 P11309 2/20 0.41
PDGFRB P09619 1/20 0.40
LRRK2 Q5S007 1/20 0.39
TLK2 Q86UE8 2/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 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
SCHEMBL5728661 1.00 RET (0.55) RETALKFLT3PDPK1RPS6KA3
SCHEMBL5367197 0.84 MAPT (0.52) RETALKFLT3PDPK1RPS6KA3
SCHEMBL5727946 0.84 PDPK1 (0.55) RETFLT3PDPK1GSK3BPDGFRB
SCHEMBL7878729 0.84 LRRK2 (0.58) RETRPS6KA3PDGFRBLRRK2
SCHEMBL14519137 0.84 LRRK2 (0.58) RETRPS6KA3PDGFRBLRRK2
SCHEMBL5727942 0.84 PDPK1 (0.55) RETFLT3PDPK1GSK3BPDGFRB
Su-9516 SCHEMBL25386665 0.81 TLK2 (0.61) RETFLT3PDPK1RPS6KA3GSK3B
Su-9516 SCHEMBL30567582 0.81 TLK2 (0.61) RETFLT3PDPK1RPS6KA3GSK3B
Su-9516 SCHEMBL19424245 0.81 TLK2 (0.61) RETFLT3PDPK1RPS6KA3GSK3B
SCHEMBL2998484 0.81 GSK3B (0.65) RETALKFLT3PDPK1RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316635-B1 USED IN PROPHYLAXIS AND THERAPY OF PROTEIN KINASE RELATED CELLULAR DISORDERS SUCH AS CANCER, DIABETES, AUTOIMMUNE DISORDER, HYPERPROLIFERATION DISORDER, INFLAMMATORY DISORDER, ANGIOGENESIS, RESTENOSIS, FIBROSIS, PSORIASIS, OSTEOARTHRITIS SUGEN, INC. 2001-11-13 US claimed
US-7105563-B2 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-12 US disclosed