SCHEMBL7175994

SCHEMBL7175994

CC(=O)OC(C(=O)Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HTR1E P28566 1/20 0.37
S1PR3 Q99500 1/20 0.37
TSHR P16473 2/20 0.34
FGFR1 P11362 1/20 0.33
DDR2 Q16832 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MCL1 Q07820 1/20 0.32
GAA P10253 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
CPT1A P50416 2/20 0.31
CPT2 P23786 1/20 0.31
GGPS1 O95749 4/20 0.31
CPT1B Q92523 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
IDH2 P48735 1/20 0.30
ITK Q08881 1/20 0.30

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
SCHEMBL5375461 1.00 MAPT (0.37) MAPTALDH1A1LMNAHTR1ES1PR3
SCHEMBL5377529 0.88 MEN1 (0.39) MAPTALDH1A1LMNATSHRFGFR1
SCHEMBL5380102 0.88 FGFR1 (0.34) MAPTALDH1A1LMNAFGFR1DDR2
SCHEMBL5398147 0.87 FGFR1 (0.35) MAPTALDH1A1FGFR1DDR2HPGD
SCHEMBL14554188 0.87 MAP4K4 (0.36) MAPTALDH1A1LMNAFGFR1DDR2
SCHEMBL5391965 0.86 FGFR1 (0.36) MAPTFGFR1DDR2MCL1DGAT2
SCHEMBL5397809 0.86 PTPN1 (0.36) MAPTALDH1A1LMNATSHRFGFR1
SCHEMBL5377561 0.85 FGFR1 (0.34) MAPTALDH1A1TSHRFGFR1DDR2
SCHEMBL5373247 0.85 ECE1 (0.38) MAPTALDH1A1LMNAFGFR1DDR2
SCHEMBL5382293 0.84 FGFR1 (0.35) FGFR1DDR2MCL1DGAT2CPT1A

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-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 WO disclosed