SCHEMBL23770706

SCHEMBL23770706

Cc1ccccc1-c1nc(NSc2cccc(NC3CCCCC3)n2)ccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CCNT1 O60563 3/20 0.36
CCNK O75909 3/20 0.36
CCNE1 P24864 3/20 0.36
CDK2 P24941 3/20 0.36
CDK9 P50750 3/20 0.36
CDK12 Q9NYV4 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSK P43235 1/20 0.35
AGER Q15109 1/20 0.35
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
PIM1 P11309 2/20 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
SCHEMBL23770573 0.97 CCNT1 (0.36) SMN1; SMN2LMNAKDM4ECCNT1CCNK
SCHEMBL23770617 0.91 CYP1A2 (0.39) LMNACCNT1CCNKCCNE1CDK2
SCHEMBL23770790 0.88 IL1B (0.32) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL23770784 0.88 SYK (0.38) CCNT1MEN1KMT2ATSHR
SCHEMBL19970021 0.87 MAPK3 (0.38) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL19970024 0.87 MAPK3 (0.38) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL19970019 0.87 MAPK3 (0.38) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL19970087 0.85 CCNT1 (0.35) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL23770848 0.84 IL1B (0.33)
SCHEMBL23770815 0.84 CYP1A2 (0.39)

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