SCHEMBL4591180

SCHEMBL4591180

O=c1[nH]c(C2CN(c3ccccc3)C2)nc2c1cnn2-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.62
ALDH1A1 P00352 5/20 0.53
PDE5A O76074 4/20 0.53
TSHR P16473 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.48
MAPT P10636 2/20 0.47
PTGS2 P35354 2/20 0.47
CREBBP Q92793 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DAPK3 O43293 1/20 0.47
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 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
SCHEMBL4498181 0.92 TYK2 (0.56) TYK2ALDH1A1PDE5ATSHRL3MBTL1
SCHEMBL4510623 0.91 TYK2 (0.55) TYK2ALDH1A1PDE5ATSHRL3MBTL1
SCHEMBL17506173 0.90 TYK2 (0.57) TYK2ALDH1A1PDE5ATSHRL3MBTL1
SCHEMBL4510202 0.87 TYK2 (0.58) TYK2ALDH1A1PDE5ATSHRL3MBTL1
SCHEMBL4512357 0.86 KMT2A (0.53) TYK2ALDH1A1PDE5ATSHRL3MBTL1
SCHEMBL4502011 0.86 MAPK1 (0.50) TYK2ALDH1A1TSHRHPGDTP53
Hydrochloric Acid SCHEMBL4511418 0.85 TYK2 (0.62) TYK2ALDH1A1PDE5ATSHRL3MBTL1
SCHEMBL4501740 0.85 ALDH1A1 (0.52) TYK2ALDH1A1PDE5ATSHRL3MBTL1
SCHEMBL4504690 0.85 TYK2 (0.49) TYK2ALDH1A1PDE5ATSHRL3MBTL1
SCHEMBL4513652 0.84 TYK2 (0.50) TYK2ALDH1A1PDE5ATSHRL3MBTL1

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-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO claimed