SCHEMBL7543661

SCHEMBL7543661

CCO/C=C1/C(=O)Nc2ncc(Br)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.49
RAF1 P04049 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
FLT3 P36888 2/20 0.41
ALDH1A1 P00352 7/20 0.40
APAF1 O14727 1/20 0.40
MAP3K11 Q16584 2/20 0.34
JAK3 P52333 1/20 0.32
KDM4E B2RXH2 4/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 2/20 0.32
CASP1 P29466 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
SENP8 Q96LD8 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
SCHEMBL5873655 1.00 NTRK1 (0.49) NTRK1RAF1CCNA2CDK2CCNA1
SCHEMBL5893904 1.00 NTRK1 (0.49) NTRK1RAF1CCNA2CDK2CCNA1
SCHEMBL5873860 0.80 JAK3 (0.46) NTRK1RAF1CCNA2CDK2CCNA1
SCHEMBL5893897 0.80 JAK3 (0.46) NTRK1RAF1CCNA2CDK2CCNA1
SCHEMBL5894042 0.79 CYP2C9 (0.40) ALDH1A1APAF1MAP3K11KDM4EMAPT
SCHEMBL5873857 0.79 CYP2C9 (0.40) ALDH1A1APAF1MAP3K11KDM4EMAPT
SCHEMBL5873947 0.76 MAP3K11 (0.42) ALDH1A1APAF1MAP3K11JAK3
SCHEMBL5893958 0.76 MAP3K11 (0.42) ALDH1A1APAF1MAP3K11JAK3
SCHEMBL6806263 0.75 MAP3K11 (0.39) NTRK1ALDH1A1APAF1MAP3K11JAK3
SCHEMBL5873799 0.75 MAP3K11 (0.39) NTRK1ALDH1A1APAF1MAP3K11JAK3

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-1180105-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-02-20 EP disclosed
WO-2000055159-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-09-21 WO disclosed