SCHEMBL22061373

SCHEMBL22061373

COc1c(Br)cc(Cl)c2c1NC1(CCC1)NC2=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.35
INSR P06213 1/20 0.35
IGF1R P08069 1/20 0.35
PDE7A Q13946 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL22061375 0.97 PDE7A (0.36) TTRINSRIGF1RPDE7AMAPT
SCHEMBL22061372 0.96 PDE7A (0.38) TTRINSRIGF1RPDE7AMAPT
SCHEMBL22060752 0.83 MAPT (0.39) TTRINSRIGF1RMAPTNPSR1
SCHEMBL22061374 0.82 MAPT (0.40) TTRINSRIGF1RPDE7AMAPT
SCHEMBL22061417 0.80 PDE7A (0.31) PDE7AMAPTNPSR1KDM4EALDH1A1
SCHEMBL22061112 0.74 CES1 (0.46) TTRINSRIGF1RALDH1A1HSD17B10
SCHEMBL22061378 0.70 CHEK1 (0.37) PDE7AKDM4EALDH1A1
SCHEMBL22060802 0.67 CHEK1 (0.41) PDE7AMAPTKDM4EALDH1A1HPGD
SCHEMBL22061376 0.66 CHEK1 (0.43) PDE7AMAPTNPSR1KDM4EALDH1A1
SCHEMBL22061418 0.61 CDC7 (0.36) MAPTNPSR1KDM4EALDH1A1HPGD

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-2020108619-A1 MNK INHIBITOR 上海迪诺医药科技有限公司 2020-06-04 WO disclosed