SCHEMBL9050105

SCHEMBL9050105

[c]1nc2c(-c3ccc4nccnc4c3)cccc2s1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.41
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ACVR1 Q04771 3/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
MAPK14 Q16539 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL4337978 0.76 LIMK1 (0.39) ACVR1MAPK14ALDH1A1
SCHEMBL10411212 0.76
SCHEMBL16150637 0.75 NOTUM (0.38) ACVR1GSK3BPIM1ALDH1A1CYP1A2
SCHEMBL21351983 0.73
SCHEMBL5542129 0.73 L3MBTL1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL27996852 0.71 TGFBR1 (0.49) TGFBR1ALOX5APFEN1FLT3GSK3B
SCHEMBL5535527 0.71 ABL1 (0.42) ALDH1A1
SCHEMBL8101802 0.71 ADRA1A (0.34) ALOX5APFEN1PIM1PIM2ALDH1A1
SCHEMBL9837227 0.70 KDM4E (0.41) TGFBR1ALDH1A1CYP1A2
SCHEMBL4190824 0.69 PDPK1 (0.43) TGFBR1

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-1996035422-A1 METHODS FOR INHIBITING BONE LOSS ELI LILLY AND COMPANY (US) 1996-11-14 WO disclosed