SCHEMBL25869192

SCHEMBL25869192

CCCN(CCNC)CCC(=O)Nc1cc(Nc2cc(-c3cc(Cl)ccc3F)nnc2C2=CCN(C(=O)OC(C)(C)C)CC2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.37
CDK9 P50750 3/20 0.37
CCNT1 O60563 1/20 0.37
GRM5 P41594 6/20 0.36
GRM1 Q13255 6/20 0.36
CNR1 P21554 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
JAK1 P23458 1/20 0.34
PDE10A Q9Y233 1/20 0.33
ENPP2 Q13822 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
ACVR1B P36896 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33

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
SCHEMBL25262809 0.85 WNT3A (0.39) WNT3ACDK9CCNT1GRM5GRM1
SCHEMBL30499641 0.85 WNT3A (0.39) WNT3ACDK9CCNT1GRM5GRM1
SCHEMBL25869400 0.83 USP30 (0.34) ACVR1BTGFBR1ACVRL1
SCHEMBL25869388 0.82 TGFBR1 (0.33) TGFBR1
SCHEMBL25130973 0.81 TGFBR1 (0.38) JAK1TGFBR1ACVRL1
SCHEMBL25130851 0.80 TGFBR1 (0.38) JAK1ACVR1BTGFBR1ACVRL1
SCHEMBL25131855 0.80 TGFBR1 (0.38) JAK1TGFBR1ACVRL1
SCHEMBL30499647 0.79 LMNA (0.40) WNT3ACDK9CCNT1TGFBR1
SCHEMBL25307609 0.79 LMNA (0.40) WNT3ACDK9CCNT1TGFBR1
SCHEMBL25131836 0.79 TGFBR1 (0.35) ACVR1BTGFBR1ACVRL1

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