SCHEMBL5797253

SCHEMBL5797253

N#Cc1ccc(N(N)C(=O)c2sccc2NCc2ccnc3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.50
RAF1 P04049 1/20 0.50
LCK P06239 1/20 0.50
RET P07949 1/20 0.50
CYP3A4 P08684 1/20 0.50
KIT P10721 1/20 0.50
MAP3K20 Q9NYL2 1/20 0.50
RIPK3 Q9Y572 1/20 0.50
MAPK8 P45983 2/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
FLT1 P17948 2/20 0.38
TACR1 P25103 1/20 0.37
AR P10275 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNC P24863 1/20 0.35

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
SCHEMBL5797537 0.90 KDR (0.55) KDRRAF1LCKRETCYP3A4
SCHEMBL5794302 0.89 KDR (0.51) KDRRAF1LCKRETCYP3A4
SCHEMBL5797491 0.89 KDR (0.51) KDRRAF1LCKRETCYP3A4
SCHEMBL5796662 0.89 KDR (0.54) KDRRAF1LCKRETCYP3A4
SCHEMBL5796355 0.87 KDR (0.56) KDRRAF1LCKRETCYP3A4
SCHEMBL5806801 0.86 KDR (0.56) KDRRAF1LCKRETCYP3A4
SCHEMBL5797032 0.84 KDR (0.49) KDRRAF1LCKRETCYP3A4
SCHEMBL4842024 0.82 KDR (0.58) KDRRAF1LCKRETCYP3A4
SCHEMBL5797526 0.82 KDR (0.49) KDRRAF1LCKRETCYP3A4
SCHEMBL5797503 0.80 KDR (0.53) KDRRAF1LCKRETCYP3A4

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
WO-2006034075-A1 (HYDRAZIDO) (AMINO) THIOPHENE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-03-30 WO claimed
WO-2006034075-A1 (HYDRAZIDO) (AMINO) THIOPHENE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-03-30 WO disclosed