SCHEMBL25869400

SCHEMBL25869400

CCCN(CCNC)CCC(=O)Nc1cc(Nc2cc(-c3cc(Cl)ccc3F)nnc2C2CCN2C(=O)OC(C)(C)C)ccn1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.34
TGFBR1 P36897 7/20 0.33
ACVR1B P36896 3/20 0.33
ACVRL1 P37023 3/20 0.33
POLB P06746 1/20 0.33
ANO1 Q5XXA6 2/20 0.33
CYP3A4 P08684 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL30499640 0.85 LMNA (0.39) USP30TGFBR1ACVR1BACVRL1POLB
SCHEMBL25306410 0.85 LMNA (0.39) USP30TGFBR1ACVR1BACVRL1POLB
SCHEMBL25869192 0.83 WNT3A (0.37) TGFBR1ACVR1BACVRL1
SCHEMBL25130973 0.82 TGFBR1 (0.38) TGFBR1ACVRL1CYP3A4LMNAMAPT
SCHEMBL25130851 0.81 TGFBR1 (0.38) TGFBR1ACVR1BACVRL1CYP3A4LMNA
SCHEMBL25131855 0.81 TGFBR1 (0.38) TGFBR1ACVRL1CYP3A4LMNAMAPT
SCHEMBL25131836 0.81 TGFBR1 (0.35) TGFBR1ACVR1BACVRL1CYP3A4MAPT
SCHEMBL25130826 0.80 TGFBR1 (0.37) TGFBR1ACVRL1CYP3A4LMNAMAPT
SCHEMBL25130880 0.80 EGFR (0.36) TGFBR1CYP3A4ITGB2ICAM1ITGAL
SCHEMBL25130831 0.79 TGFBR1 (0.35) TGFBR1ACVR1BACVRL1CYP3A4MAPT

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-2023135107-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-07-20 WO disclosed