SCHEMBL3716882

SCHEMBL3716882

NC(=O)c1cnccc1NCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 7/20 0.67
KDM6B O15054 6/20 0.67
RPS6KB1 P23443 3/20 0.58
AKT1 P31749 1/20 0.58
PKM P14618 2/20 0.55
KDM4D Q6B0I6 3/20 0.51
KDM4E B2RXH2 2/20 0.51
KDM4A O75164 1/20 0.51
ASPH Q12797 1/20 0.50
RIOX2 Q8IUF8 1/20 0.50
KDM8 Q8N371 1/20 0.50
CDC7 O00311 1/20 0.48
ROCK2 O75116 1/20 0.48
MAP4K4 O95819 1/20 0.48
GSK3B P49841 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
EGLN3 Q9H6Z9 1/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL27847518 0.87 KDM4C (0.67) KDM4CKDM6BRPS6KB1AKT1KDM4D
SCHEMBL10839345 0.83 KDM6B (0.55) KDM4CKDM6BRPS6KB1AKT1PKM
SCHEMBL5387032 0.82 SIRT2 (0.63) KDM4CKDM6BRPS6KB1AKT1PKM
SCHEMBL6459323 0.81 KDM6B (0.60) KDM4CKDM6BKDM4EASPHRIOX2
SCHEMBL3714861 0.80 MAPT (0.64) KDM4CKDM6BRPS6KB1AKT1KDM4D
SCHEMBL2713876 0.77 RPS6KB1 (0.55) KDM4CKDM6BRPS6KB1AKT1PKM
SCHEMBL2511447 0.77 KDM4C (0.78) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL2122995 0.76 MKNK1 (0.57) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL28283271 0.76 SIRT3 (0.44) KDM4CKDM6BRPS6KB1AKT1KDM4D
SCHEMBL3723389 0.76 SIRT3 (0.47) KDM4CKDM6BKDM4EMKNK2SMN1; SMN2

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
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO claimed