SCHEMBL24671395

SCHEMBL24671395

N=C(N)N1CC=C(c2ccc(C(=O)Nc3ccc(N4CCN(C(=N)N)CC4)cn3)cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 8/20 0.41
F10 P00742 7/20 0.39
BTK Q06187 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
NAMPT P43490 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
SCHEMBL29803275 1.00 WNT3A (0.41) WNT3AF10BTKCCNT1CDK9
SCHEMBL24671431 0.88 NAMPT (0.48) F10CCNT1CDK9NAMPT
SCHEMBL29802852 0.87 NPC1 (0.44)
SCHEMBL24669518 0.84 TMPRSS2 (0.38) BTKCCNT1CDK9NAMPT
SCHEMBL24671578 0.84 WNT3A (0.47) WNT3ACDK9
SCHEMBL24670963 0.82 CCNT1 (0.40) CCNT1CDK9
SCHEMBL24670318 0.81 TMPRSS2 (0.38) BTKCCNT1CDK9NAMPT
SCHEMBL24670255 0.80 TMPRSS2 (0.45)
SCHEMBL24669609 0.80 TMPRSS2 (0.45)
SCHEMBL29803214 0.80 TMPRSS2 (0.52) NAMPT

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