SCHEMBL265214

SCHEMBL265214

CN1CCN(c2ccc(-c3cnc(N)nc3Nc3cccc(S(=O)(=O)N4CCCC4)c3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.49
JAK2 O60674 2/20 0.47
JAK3 P52333 2/20 0.47
BUB1B O60566 1/20 0.47
RET P07949 1/20 0.47
JAK1 P23458 1/20 0.47
BRD2 P25440 1/20 0.47
WEE1 P30291 1/20 0.47
FLT3 P36888 1/20 0.47
BRD3 Q15059 1/20 0.47
BRDT Q58F21 1/20 0.47
ALK Q9UM73 1/20 0.47
PDGFRB P09619 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL264498 0.99 BRD4 (0.48) BRD4JAK2JAK3BUB1BRET
SCHEMBL264535 0.93 KCNA5 (0.50) BRD4JAK2JAK3BUB1BRET
SCHEMBL263109 0.89 JAK2 (0.51) BRD4JAK2JAK3BUB1BRET
SCHEMBL265824 0.88 BRD4 (0.46) BRD4JAK2JAK3BUB1BRET
Hydrochloric Acid SCHEMBL263808 0.85 BRD4 (0.49) BRD4JAK2JAK3BUB1BRET
SCHEMBL263688 0.85 JAK2 (0.48) BRD4JAK2JAK3JAK1FLT3
SCHEMBL266184 0.83 BRD4 (0.47) BRD4JAK2JAK3BUB1BRET
SCHEMBL265875 0.80 BRD4 (0.63) BRD4ALKALDH1A1MAPT
SCHEMBL270132 0.78 BRD4 (0.77) BRD4JAK2JAK3BUB1BRET
SCHEMBL270719 0.78 BRD4 (0.76) BRD4JAK2JAK3BUB1BRET

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-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed