SCHEMBL20156355

SCHEMBL20156355

COC(=O)c1ccnn1CCc1ccc2cccnc2n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 12/20 0.42
BDKRB1 P46663 1/20 0.42
FLT1 P17948 2/20 0.39
KDR P35968 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 2/20 0.38
OXGR1 Q96P68 2/20 0.38
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL21281637 0.79 SUCNR1 (0.42) SUCNR1BDKRB1KDM4EMEN1LMNA
SCHEMBL21281670 0.78 KMT2A (0.45) SUCNR1BDKRB1KDM4EMEN1LMNA
SCHEMBL21281674 0.77 SUCNR1 (0.41) SUCNR1BDKRB1KDM4EMEN1LMNA
SCHEMBL20156049 0.77 SUCNR1 (0.41) SUCNR1BDKRB1KDM4EMEN1LMNA
SCHEMBL30829495 0.75 F2 (0.46) FLT1KDRL3MBTL1KDM4EMEN1
SCHEMBL27406008 0.75 SUCNR1 (0.50) SUCNR1BDKRB1KDM4EMEN1LMNA
SCHEMBL20156356 0.74 ALOX15 (0.39) L3MBTL1KDM4ELMNAKMT2AALOX15
SCHEMBL6258525 0.73 F2 (0.43) FLT1KDRL3MBTL1KDM4EMEN1
SCHEMBL20156357 0.73 MAPK1 (0.44) FLT1KDRL3MBTL1KDM4EMEN1
SCHEMBL20156353 0.73 CXCR4 (0.48)

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-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed