SCHEMBL24671431

SCHEMBL24671431

N=C(N)N1CC=C(c2ccc(NC(=O)c3ccc(C4=CCN(C(=N)N)CC4)c(F)c3)nc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.48
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
F10 P00742 1/20 0.38
TMPRSS2 O15393 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
TRPV1 Q8NER1 1/20 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
SCHEMBL29803275 0.88 WNT3A (0.41) NAMPTCCNT1CDK9F10
SCHEMBL24671395 0.88 WNT3A (0.41) NAMPTCCNT1CDK9F10
SCHEMBL24669518 0.87 TMPRSS2 (0.38) NAMPTCCNT1CDK9TMPRSS2TRPV1
SCHEMBL24669447 0.87 TMPRSS2 (0.48) NAMPTLMNAMAPTHTTNPSR1
SCHEMBL24670964 0.85 TMPRSS2 (0.40) NAMPTCCNT1CDK9TMPRSS2EGLN1
SCHEMBL24670963 0.85 CCNT1 (0.40) MAPTHTTCCNT1CDK9TMPRSS2
SCHEMBL24670318 0.84 TMPRSS2 (0.38) NAMPTLMNAMAPTHTTNPSR1
SCHEMBL29803476 0.84 NAMPT (0.49) NAMPTCCNT1CDK9
SCHEMBL29803214 0.83 TMPRSS2 (0.52) NAMPTLMNAMAPTTMPRSS2TRPV1
SCHEMBL24670961 0.82 TMPRSS2 (0.41) CCNT1CDK9TMPRSS2

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