SCHEMBL25869388

SCHEMBL25869388

CCCN(CCNC)CCC(=O)Nc1cc(Nc2cc(-c3cc(Cl)ccc3F)nnc2C2=CCCNC2)ccn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.33
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
CYP3A4 P08684 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
SCHEMBL25869379 0.87 TGFBR1 (0.35) TGFBR1
SCHEMBL25130973 0.84 TGFBR1 (0.38) TGFBR1ITGB2ICAM1ITGALCYP3A4
SCHEMBL25130851 0.84 TGFBR1 (0.38) TGFBR1ITGB2ICAM1ITGALCYP3A4
SCHEMBL25131855 0.84 TGFBR1 (0.38) TGFBR1ITGB2ICAM1ITGALCYP3A4
SCHEMBL25310289 0.82 LMNA (0.41) TGFBR1ITGB2ICAM1ITGALCYP3A4
SCHEMBL30499627 0.82 LMNA (0.41) TGFBR1ITGB2ICAM1ITGALCYP3A4
SCHEMBL25869192 0.82 WNT3A (0.37) TGFBR1
SCHEMBL25131800 0.81 TGFBR1 (0.36) TGFBR1ITGB2ICAM1ITGALCYP3A4
SCHEMBL25131253 0.81 ITGB2 (0.36) TGFBR1ITGB2ICAM1ITGALCYP3A4
SCHEMBL25130826 0.81 TGFBR1 (0.37) TGFBR1ITGB2ICAM1ITGALCYP3A4

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