SCHEMBL24670964

SCHEMBL24670964

Cc1cc(C2=CCN(C(=N)N)CC2)cnc1NC(=O)c1ccc(C2=CCN(C(=N)N)CC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 2/20 0.40
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
EGLN1 Q9GZT9 1/20 0.36
BTK Q06187 7/20 0.35
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
NAMPT P43490 4/20 0.35
ERN1 O75460 1/20 0.35

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
SCHEMBL24669639 0.86 NAMPT (0.45) CCNT1CDK9NAMPT
SCHEMBL29803037 0.85 TMPRSS2 (0.41) TMPRSS2BTKNAMPT
SCHEMBL24671431 0.85 NAMPT (0.48) TMPRSS2CCNT1CDK9EGLN1NAMPT
SCHEMBL24669447 0.82 TMPRSS2 (0.48) TMPRSS2NAMPT
SCHEMBL29802865 0.82 TMPRSS2 (0.43) TMPRSS2CCNT1CDK9BTK
SCHEMBL29803204 0.82 TMPRSS2 (0.52) TMPRSS2NAMPT
SCHEMBL24671270 0.82 TMPRSS2 (0.52) TMPRSS2NAMPT
SCHEMBL29803214 0.80 TMPRSS2 (0.52) TMPRSS2NAMPT
SCHEMBL24669468 0.80 TMPRSS2 (0.52) TMPRSS2
SCHEMBL24669518 0.80 TMPRSS2 (0.38) TMPRSS2CCNT1CDK9BTKNAMPT

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 3 patents. 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 claimed
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
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