SCHEMBL21078192

SCHEMBL21078192

Cc1cnn(CC(=O)N2CCC(CN3CCOCC3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.52
LMNA P02545 1/20 0.45
JAK2 O60674 4/20 0.44
JAK1 P23458 4/20 0.44
GAA P10253 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 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
SCHEMBL13103451 0.85 SMN1; SMN2 (0.51) LMNAJAK2JAK1GAACCNC
SCHEMBL27292690 0.79 SMN1; SMN2 (0.54) LMNAHSD17B10NPC1SMN1; SMN2ALDH1A1
SCHEMBL16565645 0.78 THRB (0.44) THRBJAK2JAK1GAAALOX15
SCHEMBL24528818 0.77 ALPI (0.41) LMNACCNCCDK8SMN1; SMN2ALDH1A1
SCHEMBL17382013 0.76 ALPI (0.47) LMNACCNCCDK8SMN1; SMN2
SCHEMBL12121175 0.76 ALPI (0.47) LMNACCNCCDK8HSD17B10SMN1; SMN2
SCHEMBL19226570 0.76 P2RY12 (0.41) LMNAJAK2JAK1GAASMN1; SMN2
SCHEMBL19014559 0.73 CCNC (0.51) LMNAGAACCNCCDK8SMN1; SMN2
SCHEMBL18909230 0.73 THRB (0.53) THRBLMNAGAAALOX15TSHR
SCHEMBL13102474 0.72 POLB (0.50) LMNACCNCCDK8SMN1; SMN2ALDH1A1

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
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed