SCHEMBL23770845

SCHEMBL23770845

Cc1ccccc1-c1nc(NSc2cccc(N3CCNCC3C)n2)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.39
HTR2A P28223 7/20 0.37
KCNH2 Q12809 2/20 0.37
HTR2B P41595 9/20 0.35
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
CCNT1 O60563 1/20 0.33
CCNK O75909 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
SYK P43405 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL23770846 0.88 HTR2C (0.35) HTR2CHTR2AHTR2BCCNT1CCNK
SCHEMBL23770663 0.86 CYP1A2 (0.43) HTR2C
SCHEMBL29464303 0.83 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1
SCHEMBL19951341 0.83 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1
SCHEMBL19951343 0.83 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1
SCHEMBL19968833 0.83 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1
SCHEMBL29464512 0.83 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1
Hydrochloric Acid SCHEMBL19951372 0.82 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1
Hydrochloric Acid SCHEMBL29464901 0.82 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1
Hydrochloric Acid SCHEMBL19951374 0.82 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1

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-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed