SCHEMBL30669808

SCHEMBL30669808

Cn1cc(-c2[nH]c3ncccc3c2C#N)cn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.57
MAPT P10636 3/20 0.55
BCL6 P41182 1/20 0.45
CHEK1 O14757 1/20 0.44
DYRK1A Q13627 2/20 0.43
CLK2 P49760 1/20 0.43
AURKA O14965 2/20 0.42
AURKB Q96GD4 2/20 0.42
INCENP Q9NQS7 1/20 0.42
TPX2 Q9ULW0 1/20 0.42
DHODH Q02127 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
TBK1 Q9UHD2 1/20 0.40
MET P08581 1/20 0.39
ALK Q9UM73 1/20 0.39
FLT3 P36888 1/20 0.39

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
Hydrochloric Acid SCHEMBL30669792 0.81 MAPT (0.58) PDE10AMAPTDYRK1ACLK2AURKA
SCHEMBL20927824 0.78 PDE10A (0.53) PDE10AMAPTBCL6DYRK1AAURKA
SCHEMBL7710403 0.73 MAPT (0.50) PDE10AMAPTDYRK1ACLK2AURKA
SCHEMBL31160460 0.71 MAPT (0.41) PDE10AMAPTCHEK1DYRK1ACLK2
SCHEMBL17967624 0.71 MAPT (1.00) MAPTCHEK1DYRK1ACLK2MET
SCHEMBL1561284 0.71 MAPT (0.81) MAPTCHEK1
SCHEMBL20927842 0.69 PDE10A (0.46) PDE10ABCL6
SCHEMBL29869934 0.69 AURKA (0.64) MAPTAURKAAURKBINCENPTPX2
SCHEMBL23885630 0.68 CHEK1 (0.49) PDE10AMAPTCHEK1DYRK1ACLK2
SCHEMBL20928268 0.68 PDE10A (0.42) PDE10AMAPTCHEK1AURKAAURKB

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
CN-117098763-A TYK2 inhibitors 渤健马萨诸塞州股份有限公司 2023-11-21 CN disclosed