SCHEMBL12186830

SCHEMBL12186830

CC1CCCCN1c1cnc(I)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 8/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
JAK3 P52333 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
SMPD3 Q9NY59 1/20 0.38
TSHR P16473 1/20 0.38
XBP1 P17861 1/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL231930 0.83 KDM4E (0.46) CHRM4SMN1; SMN2LMNAHTTNCOA3
SCHEMBL24092755 0.81 ALDH1A1 (0.45) CHRM4SMN1; SMN2LMNAHTTNCOA3
SCHEMBL9925926 0.79 CHRM4 (0.41) CHRM4SMN1; SMN2LMNAHTTNCOA3
SCHEMBL9924600 0.78 CHRM4 (0.41) CHRM4SMN1; SMN2LMNAHTTNCOA3
SCHEMBL179313 0.78 CHRM4 (0.40) CHRM4SMN1; SMN2LMNAHTTNCOA3
SCHEMBL2553324 0.77 CHRM4 (0.40) CHRM4SMN1; SMN2LMNAHTTNCOA3
SCHEMBL31507954 0.75 SMPD3 (0.48) HTTALDH1A1JAK3MEN1HPGD
SCHEMBL31508012 0.75 SMPD3 (0.48) HTTALDH1A1JAK3MEN1HPGD
SCHEMBL12640405 0.74 CHRM4 (0.38) CHRM4SMN1; SMN2LMNAHTTNCOA3
SCHEMBL12943643 0.71 MAPT (0.48) SMN1; SMN2LMNAHTTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571357-B1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS INC (US) 2016-07-06 EP disclosed
WO-2015168079-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS PI3K INHIBITORS INFINITY PHARMACEUTICALS, INC. (US) 2015-11-05 WO disclosed
WO-2014194254-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2014-12-04 WO disclosed
WO-2014071105-A1 TREATMENT OF RHEUMATOID ARTHRITIS AND ASTHMA USING P13 KINASE INHIBITORS INFINITY PHARMACEUTICALS, INC. (US) 2014-05-08 WO disclosed
WO-2014071109-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2014-05-08 WO disclosed
WO-2013032591-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-03-07 WO disclosed
WO-2013012918-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
WO-2013012915-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
WO-2011146882-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INTELLIKINE, INC. (US) 2011-11-24 WO disclosed
WO-2011008302-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2011-01-20 WO disclosed
WO-2009046448-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE, INC. (US) 2009-04-09 WO disclosed