SCHEMBL650210

SCHEMBL650210

CCCCn1c(-c2ccccc2C)nc(C#N)c1CC(NCc1ccc(C(N)=O)c(O)c1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.33
CNR1 P21554 1/20 0.33
PDPK1 O15530 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
PHKG2 P15735 1/20 0.32
MARK3 P27448 1/20 0.32
FLT3 P36888 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
CLK2 P49760 1/20 0.32
GSK3B P49841 1/20 0.32
IRAK1 P51617 1/20 0.32
RPS6KA3 P51812 1/20 0.32
NEK4 P51957 1/20 0.32
CSNK1G2 P78368 1/20 0.32
ITK Q08881 1/20 0.32
MAP4K2 Q12851 1/20 0.32
CAMK2G Q13555 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL650211 0.81 FNTA (0.37) CNR2PDPK1MAP4K4PAK4PHKG2
SCHEMBL651207 0.74 MEN1 (0.36) CNR2CNR1
SCHEMBL651079 0.73 AGTR1 (0.34) ALDH1A1LMNAHPGDTDP1
SCHEMBL653481 0.72 MERTK (0.34) ALDH1A1LMNAHPGDTDP1
SCHEMBL650483 0.66 AGTR1 (0.35)
SCHEMBL648737 0.65 TSHR (0.37) ALDH1A1
SCHEMBL651696 0.64 PDE4B (0.36) CNR1ALDH1A1LMNA
SCHEMBL652416 0.64 ADRA1D (0.37) CNR2
SCHEMBL1913025 0.63 C5AR1 (0.41) CNR2ALDH1A1LMNAHPGDTDP1
SCHEMBL648736 0.63 ATM (0.36) IRAK4ALDH1A1LMNA

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-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed