SCHEMBL28191409

SCHEMBL28191409

Cc1ccnc2cc(CC(F)(C=O)c3ccccc3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CMA1 P23946 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ MST1R Q04912 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ GRM4 Q14833 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ KDM5A P29375 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 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
SCHEMBL17673285 0.71 CES1 (0.39) SMN1; SMN2CMA1GSK3AGSK3BACVR1
SCHEMBL15046641 0.69 CCR1 (0.45) SMN1; SMN2GSK3AGSK3BACVR1MST1R
SCHEMBL30174440 0.69 ADRB2 (0.52) CCNCCDK8SMN1; SMN2GSK3AGSK3B
SCHEMBL22854 0.69 ADRB2 (0.52) CCNCCDK8SMN1; SMN2GSK3AGSK3B
SCHEMBL15219374 0.68 ROCK1 (0.49) SMN1; SMN2CCR1CCR5CCR8
SCHEMBL14423294 0.68 CCR1 (0.44) SMN1; SMN2ACVR1TLR8CCR1CCR5
SCHEMBL24338668 0.67 LOXL2 (0.46) SMN1; SMN2CCR1CCR5CCR8KDM4E
SCHEMBL17785563 0.67 TRPA1 (0.43) SMN1; SMN2CMA1CLK4TLR8KDM4E
SCHEMBL7003951 0.65 CCR1 (0.44) SMN1; SMN2TLR8CCR1CCR5CCR8
Trifluoroacetic Acid SCHEMBL28101328 0.65 SMN1; SMN2 (0.44) SMN1; SMN2PTGDR2ALDH1A1

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-107531690-A The amines of 4,5,6,7 tetrahydrochysene 1H pyrazolos [4,3 c] pyridine 3 as CBP and/or EP300 inhibitor 基因泰克公司 2018-01-02 — — CN disclosed
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