SCHEMBL24671552

SCHEMBL24671552

CNC(=N)N1CC=C(c2cc(F)c(C(=O)Nc3ccc(C4=CCN(C(=N)N)CC4)c(OC)c3)cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 11/20 0.42
CDK9 P50750 11/20 0.42
TMPRSS2 O15393 3/20 0.40
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38
TRPV1 Q8NER1 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL29802916 0.95 TMPRSS2 (0.43) CCNT1CDK9TMPRSS2KLK1KLK5
SCHEMBL24670704 0.89 TMPRSS2 (0.40) CCNT1CDK9TMPRSS2KLK1KLK5
SCHEMBL24671261 0.85 QDPR (0.43) CCNT1CDK9TMPRSS2KLK1KLK5
SCHEMBL24671177 0.85 TMPRSS2 (0.51) TMPRSS2MAPTKMT2ANPC1RAB9A
SCHEMBL29803211 0.85 TMPRSS2 (0.51) TMPRSS2MAPTKMT2ANPC1RAB9A
SCHEMBL29802957 0.84 TMPRSS2 (0.44) CCNT1CDK9TMPRSS2KLK1KLK5
SCHEMBL24670238 0.82 TMPRSS2 (0.46) CCNT1CDK9TMPRSS2TRPV1MAPT
SCHEMBL24670929 0.82 WDR5 (0.46) CCNT1CDK9MAPT
SCHEMBL24669441 0.80 TMPRSS2 (0.53) TMPRSS2MAPTKMT2ANPC1RAB9A
SCHEMBL24670801 0.79 TMPRSS2 (0.45) TMPRSS2MAPTKMT2A

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
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed