SCHEMBL4464373

SCHEMBL4464373

NC1=NC(N)(c2cccc(Cl)c2Cl)NC=C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
NUDT1 P36639 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HTR5A P47898 2/20 0.31
PNMT P11086 1/20 0.31
LMNA P02545 1/20 0.31
PDK2 Q15119 1/20 0.30
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
HTR3A P46098 1/20 0.30
CHEK1 O14757 1/20 0.30
FLT3 P36888 1/20 0.30
PLK3 Q9H4B4 1/20 0.30

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
SCHEMBL1172152 0.87 TAAR1 (0.39) TSHRTAAR1HTR5A
SCHEMBL1171691 0.85 BACE1 (0.41) TAAR1
SCHEMBL1171876 0.81 HTR1A (0.34) TAAR1HTR5AHTR1AHTR1DHTR2C
SCHEMBL1172224 0.74 BACE1 (0.32) HTR5A
SCHEMBL15556995 0.73 HTR5A (0.35) TSHRNUDT1TAAR1HTR5APNMT
SCHEMBL1172120 0.72 BACE1 (0.38) HTR2AHTR2C
SCHEMBL15488573 0.71 TAAR1 (0.39) TSHRTAAR1HTR5A
SCHEMBL4468713 0.71 HTT (0.39) HTR5AHTR1AHTR1DHTR2CHTR7
SCHEMBL1172201 0.71 BACE1 (0.33) TSHRHTR5AHTR3A
SCHEMBL4462368 0.71 HTR5A (0.32) HTR5A

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed