SCHEMBL4969185

SCHEMBL4969185

c1ccc2c(NC3CCNC3)ccnc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
CHEK2 O96017 5/20 0.47
CHEK1 O14757 2/20 0.47
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
PIK3CA P42336 1/20 0.46
PRKCZ Q05513 1/20 0.45
KMT5B Q4FZB7 2/20 0.44
KMT5C Q86Y97 2/20 0.44
MAOB P27338 1/20 0.43
HTR6 P50406 1/20 0.43
FERMT2 Q96AC1 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ADRB2 P07550 1/20 0.41

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
SCHEMBL29862882 1.00 MKNK1 (0.48) MKNK1MKNK2CHEK2CHEK1HTR1A
SCHEMBL900098 1.00 MKNK1 (0.48) MKNK1MKNK2CHEK2CHEK1HTR1A
Hydrochloric Acid SCHEMBL29862725 0.99 MKNK1 (0.47) MKNK1MKNK2CHEK2CHEK1HTR1A
Hydrochloric Acid SCHEMBL29862477 0.99 MKNK1 (0.47) MKNK1MKNK2CHEK2CHEK1HTR1A
Hydrochloric Acid SCHEMBL29862720 0.99 MKNK1 (0.47) MKNK1MKNK2CHEK2CHEK1HTR1A
Hydrochloric Acid SCHEMBL23360261 0.99 MKNK1 (0.47) MKNK1MKNK2CHEK2CHEK1HTR1A
Hydrochloric Acid SCHEMBL23360250 0.99 MKNK1 (0.47) MKNK1MKNK2CHEK2CHEK1HTR1A
Hydrochloric Acid SCHEMBL23360251 0.99 MKNK1 (0.47) MKNK1MKNK2CHEK2CHEK1HTR1A
SCHEMBL12634152 0.91 KMT5B (0.49) MKNK1HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL23360249 0.90 KMT5B (0.48) MKNK1HTR1AADRA1DADRA1AADRA1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed
EP-1899319-A2 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-19 EP disclosed
WO-2006135649-A2 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed