SCHEMBL30879889

SCHEMBL30879889

COc1cccc(-c2nc(C3CCCN(C(=O)OC(C)(C)C)C3)n3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.50
EGFR P00533 2/20 0.46
ABL1 P00519 1/20 0.46
SRC P12931 1/20 0.46
ABL2 P42684 1/20 0.46
GRM5 P41594 1/20 0.46
HPGDS O60760 1/20 0.46
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP30 Q70CQ3 2/20 0.44
PRMT5 O14744 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TEC P42680 1/20 0.42
ITK Q08881 1/20 0.42

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
SCHEMBL30879840 1.00 BTK (0.50) BTKEGFRABL1SRCABL2
SCHEMBL30879847 1.00 BTK (0.50) BTKEGFRABL1SRCABL2
SCHEMBL30879843 0.96 ABL1 (0.48) BTKEGFRABL1SRCABL2
SCHEMBL30879848 0.92 KCNK3 (0.44) BTKEGFRABL1SRCABL2
SCHEMBL30879893 0.90 BTK (0.48) BTKEGFRABL1SRCABL2
SCHEMBL4728976 0.89 BTK (0.53) BTKEGFRGRM5NPC1ALDH1A1
SCHEMBL30879888 0.88 ABL1 (0.46) BTKEGFRABL1SRCABL2
SCHEMBL4727867 0.87 BTK (0.49) BTKEGFRGRM5NPC1ALDH1A1
SCHEMBL30879927 0.86 GRM5 (0.46) BTKEGFRABL1SRCABL2
SCHEMBL30879903 0.86 BTK (0.51) BTKEGFRGRM5KCNK3KCNK9

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-2024092222-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2024-05-02 WO disclosed