SCHEMBL650211

SCHEMBL650211

CCCCn1c(-c2ccccc2C)nc(C#N)c1CN(Cc1ccc(C(N)=O)c(O)c1)CC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
BCHE P06276 2/20 0.34
ITK Q08881 3/20 0.33
MAP4K4 O95819 2/20 0.31
PHKG2 P15735 2/20 0.31
MARK3 P27448 2/20 0.31
CSNK1A1 P48729 2/20 0.31
CSNK1D P48730 2/20 0.31
CLK2 P49760 2/20 0.31
IRAK1 P51617 2/20 0.31
RPS6KA3 P51812 2/20 0.31
NEK4 P51957 2/20 0.31
CSNK1G2 P78368 2/20 0.31
MAP4K2 Q12851 2/20 0.31
CAMK2G Q13555 2/20 0.31
DYRK1A Q13627 2/20 0.31
PKN2 Q16513 2/20 0.31
AURKB Q96GD4 2/20 0.31
SRPK1 Q96SB4 2/20 0.31

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
SCHEMBL651503 0.82 GRIN2B (0.35) FNTAFNTBBCHEGSK3BCRHR1
SCHEMBL650210 0.81 CNR2 (0.33) ITKMAP4K4PHKG2MARK3CSNK1A1
SCHEMBL1913025 0.81 C5AR1 (0.41) FNTAFNTBBCHECNR2ACHE
SCHEMBL648105 0.76 C5AR1 (0.38) BCHECNR2ALDH1A1LMNA
SCHEMBL650483 0.76 AGTR1 (0.35)
SCHEMBL648737 0.75 TSHR (0.37) LTB4R2ALDH1A1
SCHEMBL652416 0.74 ADRA1D (0.37) CNR2
SCHEMBL651698 0.73 NPC1 (0.36) BCHEITKCNR2ALDH1A1LMNA
SCHEMBL14572934 0.73 PDK1 (0.40) LTB4R2TDP1
SCHEMBL650630 0.73 MKNK1 (0.36) ITKALDH1A1LMNAHPGD

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 4 patents. 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
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed