SCHEMBL23770413

SCHEMBL23770413

Cc1ccccc1-c1nc(N[S+]([O-])c2cccc(NC3CCCNC3)n2)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 18/20 0.47
CCNK O75909 18/20 0.47
CDK9 P50750 18/20 0.47
CDK12 Q9NYV4 18/20 0.47
CCNE1 P24864 15/20 0.47
CDK2 P24941 15/20 0.47
CDK7 P50613 7/20 0.41
CCNH P51946 7/20 0.41
MNAT1 P51948 5/20 0.41
IL1B P01584 2/20 0.39
NLRP3 Q96P20 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
SCHEMBL29464500 0.80 CCNT1 (0.47) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL19925039 0.80 CCNT1 (0.47) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL19925037 0.80 CCNT1 (0.47) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29464462 0.80 CCNT1 (0.47) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL19925751 0.80 CCNT1 (0.47) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL23770823 0.80 CYP1A2 (0.38)
Hydrochloric Acid SCHEMBL19951376 0.80 CCNT1 (0.47) CCNT1CCNKCDK9CDK12CCNE1
Hydrochloric Acid SCHEMBL19925784 0.80 CCNT1 (0.47) CCNT1CCNKCDK9CDK12CCNE1
Hydrochloric Acid SCHEMBL29464926 0.80 CCNT1 (0.47) CCNT1CCNKCDK9CDK12CCNE1
Hydrochloric Acid SCHEMBL29464914 0.80 CCNT1 (0.47) CCNT1CCNKCDK9CDK12CCNE1

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