SCHEMBL4081070

SCHEMBL4081070

Cc1nc2cccc(Br)c2n1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CDK5R1 Q15078 1/20 0.36
DYRK2 Q92630 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK4 Q9NR20 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
TSHR P16473 4/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL12831721 0.79 CRHR1 (0.37) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL4082939 0.79 TSHR (0.39) TSHRMAPTMAPK1ALDH1A1KDM4E
SCHEMBL30349372 0.77 ACACB (0.39) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL25157447 0.77 ACACB (0.39) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL16318466 0.74 CRHR1 (0.42) ALDH1A1KMT2ACRHR1HSD17B10LMNA
SCHEMBL13885373 0.72 GSK3B (0.32) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL2854775 0.71 HSD17B10 (0.57) GSK3BTSHRMAPTMAPK1CASP1
SCHEMBL4099644 0.70 ALDH1A1 (0.33) ALDH1A1LMNASMN1; SMN2
SCHEMBL27211979 0.67 GRM2 (0.37) TDP1ALDH1A1KDM4EHPGDKMT2A
SCHEMBL11901668 0.67 PRMT5 (0.38) TSHRMAPTTDP1KDM4EKMT2A

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-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed