SCHEMBL24671587

SCHEMBL24671587

Cc1cc(C2=CCN(C(=N)N)CC2)c(F)cc1NC(=O)c1ccc(C2=CCN(C(=N)N)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.38
TMPRSS2 O15393 1/20 0.38
WNT3A P56704 2/20 0.37
NAMPT P43490 3/20 0.37

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
SCHEMBL29803265 1.00 BTK (0.38) BTKTMPRSS2WNT3ANAMPT
SCHEMBL29802865 0.87 TMPRSS2 (0.43) BTKTMPRSS2
SCHEMBL29803345 0.87 TMPRSS2 (0.43) BTKTMPRSS2NAMPT
SCHEMBL24671586 0.87 TMPRSS2 (0.43) BTKTMPRSS2NAMPT
SCHEMBL29803478 0.86 WNT3A (0.48) WNT3A
SCHEMBL24670980 0.86 WNT3A (0.48) WNT3A
SCHEMBL24669391 0.84 WDR5 (0.40) BTKTMPRSS2
SCHEMBL29802872 0.84 WDR5 (0.40) BTKTMPRSS2
SCHEMBL24669604 0.83 MAPT (0.38) BTKNAMPT
SCHEMBL29803228 0.83 MAPT (0.38) BTKNAMPT

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