SCHEMBL21077874

SCHEMBL21077874

Cc1nc2c(C3=CCNCC3)cccn2n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.48
JAK2 O60674 3/20 0.48
HTR2C P28335 6/20 0.42
KHK P50053 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
DRD2 P14416 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SOS1 Q07889 1/20 0.37
JAK3 P52333 1/20 0.37
HTR6 P50406 2/20 0.36
GAA P10253 1/20 0.36
HTR2A P28223 1/20 0.36
HTT P42858 1/20 0.36
RAD52 P43351 1/20 0.36

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
SCHEMBL16554303 0.84 JAK2 (0.50) JAK1JAK2HTR2CKHKSIGMAR1
Hydrochloric Acid SCHEMBL16553729 0.84 JAK2 (0.50) JAK1JAK2HTR2CKHKSIGMAR1
SCHEMBL2640328 0.77 JAK2 (0.65) JAK1JAK2JAK3
SCHEMBL11029002 0.71 HTR2C (0.42) JAK1JAK2HTR2CKHKSIGMAR1
SCHEMBL24377330 0.70 HTR2C (0.44) JAK1JAK2HTR2CKHKSIGMAR1
SCHEMBL19659391 0.69 JAK2 (0.53) JAK2KDM4EALDH1A1HSD17B10JAK3
Hydrochloric Acid SCHEMBL9530706 0.69 HTR2C (0.61) HTR2CKHKSIGMAR1KDM4EALDH1A1
SCHEMBL1366798 0.69 HTR2C (0.61) HTR2CKHKSIGMAR1KDM4EALDH1A1
SCHEMBL21077885 0.69 JAK1 (0.63) JAK1JAK2
SCHEMBL20847736 0.67 HTR2C (0.50) HTR2CSIGMAR1KDM4EALDH1A1MAPT

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