SCHEMBL30765435

SCHEMBL30765435

C[C@@H](Nc1cnc(N2CCCCC2)n(CC(=O)NCc2cc3cnccc3[nH]2)c1=O)c1nc(-c2ccccc2)co1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.36
MAPK1 P28482 1/20 0.35
NTRK1 P04629 3/20 0.34
NTRK3 Q16288 1/20 0.33
F3 P13726 5/20 0.33
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
MASP2 O00187 1/20 0.32
F7 P08709 1/20 0.32
NAMPT P43490 4/20 0.32
GSK3A P49840 1/20 0.31
CYP2C9 P11712 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
AKT3 Q9Y243 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
IDH1 O75874 1/20 0.31

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
SCHEMBL30765553 0.88 MAPK1 (0.37) F2MAPK1NTRK1NTRK3F3
SCHEMBL30766040 0.86 F2 (0.36) F2MAPK1NTRK1NTRK3F3
SCHEMBL30765657 0.83 F2 (0.36) F2MAPK1NTRK1NTRK3F3
SCHEMBL30765781 0.83 F2 (0.33) F2MAPK1F3NAMPTTSHR
SCHEMBL30765646 0.82 MAPK1 (0.38) F2MAPK1F3MASP2NAMPT
SCHEMBL30765445 0.82 AKT1 (0.37) GSK3AAKT1AKT2AKT3USP2
SCHEMBL31558527 0.81 AKT1 (0.36) MAPK1F7AKT1AKT2AKT3
SCHEMBL30765998 0.78 ALDH1A1 (0.35) F2AKT1AKT2AKT3TSHR
SCHEMBL30765806 0.77 MAPK1 (0.36) F2MAPK1MASP2NAMPTUSP2
SCHEMBL30765621 0.77 GAA (0.42) MAPK1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed