SCHEMBL4178231

SCHEMBL4178231

c1ccc(-c2cnc3[nH]ncc3c2N2CCNCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.58
CHEK2 O96017 2/20 0.58
HTR6 P50406 7/20 0.50
HTR7 P34969 7/20 0.50
HTR1A P08908 6/20 0.50
HTR2B P41595 5/20 0.50
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
HTR3A P46098 2/20 0.46
HTR2A P28223 2/20 0.46
HTR5A P47898 1/20 0.46
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
PDE10A Q9Y233 1/20 0.43
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2C P28335 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
Hydrochloric Acid SCHEMBL3716314 0.99 CHEK1 (0.57) CHEK1CHEK2HTR6HTR7HTR1A
Hydrochloric Acid SCHEMBL3714080 0.99 CHEK1 (0.57) CHEK1CHEK2HTR6HTR7HTR1A
Hydrochloric Acid SCHEMBL3714976 0.86 HTR1A (0.56) CHEK1CHEK2HTR6HTR7HTR1A
SCHEMBL3662967 0.84 CHEK1 (0.55) CHEK1CHEK2LMNAMAPTCCNC
Hydrochloric Acid SCHEMBL3718468 0.81 HTR2C (0.49) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL3730730 0.79 CHEK1 (0.38) CHEK1CHEK2HTR6HTR7HTR1A
Hydrochloric Acid SCHEMBL3716594 0.78 CHEK1 (0.38) CHEK1CHEK2HTR6HTR7HTR1A
SCHEMBL3717407 0.77 CKS1B (0.53) CHEK1CHEK2
SCHEMBL4164895 0.76 CHEK1 (0.54) CHEK1CHEK2HTR6HTR7HTR1A
SCHEMBL3736680 0.76 AKT2 (0.41) CHEK1CHEK2HTR6HTR7HTR1A

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-2009089359-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 WO disclosed