SCHEMBL29545152

SCHEMBL29545152

Cn1cc(Nc2cc(Br)ccn2)nn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
KDM4A O75164 1/20 0.34
KDM5C P41229 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34
NTRK1 P04629 1/20 0.33
CDK9 P50750 2/20 0.32
GSK3A P49840 1/20 0.32
CDK5 Q00535 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
RIOK2 Q9BVS4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SYK P43405 2/20 0.31
CCNT1 O60563 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL29545188 0.76 PRKD1 (0.44) KDM4ENTRK1ALDH1A1SMN1; SMN2MAPK10
SCHEMBL29545106 0.76 PIK3C3 (0.42) KDM4ENTRK1CDK9GSK3ACDK5
SCHEMBL29544729 0.72 NTRK1 (0.36) KDM4ENTRK1CDK9GSK3ACDK5
SCHEMBL16798235 0.70 MAPK1 (0.46)
SCHEMBL29544683 0.70 MAPK10 (0.39) KDM4ENTRK1MEN1KMT2AMAPK10
SCHEMBL16264725 0.68 JAK2 (0.45) KDM4ECDK9GSK3ACDK5TAOK1
SCHEMBL16397524 0.68
SCHEMBL30477820 0.68
SCHEMBL20865890 0.68 NTRK1 (0.48) KDM4ENTRK1MEN1KMT2ASMN1; SMN2
SCHEMBL14850280 0.67 SYK (0.51) KDM4EKDM4AKDM5CKDM4CKDM2A

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-2022072634-A1 BICYCLIC COMPOUNDS FOR USE IN THE TREATMENT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-07 WO disclosed