SCHEMBL2731745

SCHEMBL2731745

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(N)(=O)=O)c1C(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.65
JAK2 O60674 8/20 0.65
BRD4 O60885 6/20 0.65
BRDT Q58F21 2/20 0.65
BRD2 P25440 1/20 0.65
BRD3 Q15059 1/20 0.65
JAK1 P23458 6/20 0.64
SRC P12931 5/20 0.64
AXL P30530 3/20 0.64
TYK2 P29597 3/20 0.64
LCK P06239 3/20 0.64
KDR P35968 3/20 0.64
TEK Q02763 3/20 0.64
PTK2 Q05397 3/20 0.64
PDGFRB P09619 3/20 0.64
EGFR P00533 3/20 0.64
FGFR1 P11362 3/20 0.64
MERTK Q12866 2/20 0.64
RET P07949 2/20 0.64
FLT3 P36888 2/20 0.64

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
SCHEMBL30427133 1.00 JAK3 (0.65) JAK3JAK2BRD4BRDTBRD2
SCHEMBL30171204 0.90 AXL (0.59) JAK3JAK2BRD4BRDTBRD2
SCHEMBL2723335 0.87 JAK3 (0.61) JAK3JAK2BRD4BRDTBRD2
Hydrochloric Acid SCHEMBL2730396 0.86 JAK3 (0.59) JAK3JAK2BRD4BRDTBRD2
SCHEMBL264158 0.82 JAK3 (0.79) JAK3JAK2BRD4BRDTBRD2
SCHEMBL30381504 0.82 JAK3 (0.79) JAK3JAK2BRD4BRDTBRD2
SCHEMBL20500090 0.81 BRD4 (0.63) JAK3JAK2BRD4BRDTBRD2
SCHEMBL269996 0.81 BRD4 (0.65) JAK3JAK2BRD4BRDTBRD2
Hydrochloric Acid SCHEMBL265478 0.80 BRD4 (0.64) JAK3JAK2BRD4BRDTBRD2
SCHEMBL17907579 0.80 BRD4 (0.66) JAK3JAK2BRD4BRDTBRD2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872161-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF Del Mar Pharmaceuticals (CA) 2015-05-20 EP disclosed
WO-2014004376-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF DEL MAR PHARMACEUTICALS (CA) 2014-01-03 WO disclosed
EP-2635282-A1 COMPOSITIONS AND METHODS FOR TREATING MYELOFIBROSIS TargeGen, Inc. (US) 2013-09-11 EP disclosed
WO-2013059548-A9 COMPOSITIONS AND METHODS FOR TREATING CANCER USING JAK2 INHIBITOR SANOFI (FR) 2013-06-06 WO disclosed
WO-2013059548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER USING JAK2 INHIBITOR SANOFI (FR) 2013-04-25 WO disclosed
WO-2012061833-A1 COMPOSITIONS AND METHODS FOR TREATING MYELOFIBROSIS TARGEGEN, INC. (US) 2012-05-10 WO disclosed