SCHEMBL14031125

SCHEMBL14031125

Cn1cc(I)c2cc(C#N)cnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
PTGER4 P35408 1/20 0.43
HASPIN Q8TF76 1/20 0.37
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.33
HPGDS O60760 2/20 0.32
GRM5 P41594 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
AURKA O14965 1/20 0.32
JAK2 O60674 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 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
SCHEMBL23928899 0.81 HTT (0.45) BRD4PTGER4TTRALBHTT
SCHEMBL29880693 0.81 PTGER4 (0.43) PTGER4HTTTP53HPGDSGRM5
SCHEMBL31020829 0.81 HTT (0.45) BRD4PTGER4TTRALBHTT
SCHEMBL23452230 0.81 PTGER4 (0.43) PTGER4HTTTP53HPGDSGRM5
SCHEMBL28960178 0.81 PTGER4 (0.40) BRD4PTGER4TTRALBHTT
SCHEMBL27765124 0.79 PTGER4 (0.42) PTGER4HTTTP53HPGDSGRM5
SCHEMBL17211632 0.76 BRD4 (0.55) BRD4HASPINKDM4E
SCHEMBL25230123 0.76 RORC (0.46) PTGER4RORC
SCHEMBL24331224 0.75 BRD4 (0.50) BRD4HASPINGSK3B
SCHEMBL22554076 0.75 BRD4 (0.50) BRD4HASPINGSK3BCDK5

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
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed