SCHEMBL19249226

SCHEMBL19249226

N=Cc1c(N)cc(C(F)(F)F)cc1NCc1cccc(NC2CCCC(=O)C2)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 2/20 0.34
▸ MET P08581 4/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ ROCK2 O75116 2/20 0.32
▸ ROCK1 Q13464 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ AGTR2 P50052 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ TYRO3 Q06418 1/20 0.32
▸ TEAD1 P28347 2/20 0.31
▸ ACKR3 P25106 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ DDR2 Q16832 1/20 0.31
▸ KCNH2 Q12809 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
SCHEMBL19249350 0.84 MRGPRX4 (0.36) TDO2METRXFP1ROCK2ROCK1
SCHEMBL19249229 0.77 TDO2 (0.60) TDO2ROCK2ROCK1
SCHEMBL19249094 0.76 TDO2 (0.50) TDO2RXFP1ROCK2ROCK1EGFR
SCHEMBL3670657 0.73 EPHX2 (0.51) ALDH1A1TEAD1
SCHEMBL22083868 0.71 CDK7 (0.34) ROCK2KCNH2
SCHEMBL22083864 0.66 TDO2 (0.54) TDO2
SCHEMBL19249227 0.63 TDO2 (0.61) TDO2ROCK2ROCK1
SCHEMBL3668555 0.61 DDB1 (0.42) ALDH1A1
SCHEMBL22083903 0.60 KIF11 (0.41) RXFP1ALDH1A1
SCHEMBL19249228 0.58 PTPN5 (0.42) ALDH1A1

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-2017133258-A1 1H-INDAZOLE DERIVATIVE AND USE THEREOF AS IDO INHIBITOR 西华大学 2017-08-10 — — WO disclosed
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