SCHEMBL17745751

SCHEMBL17745751

[CH][C@H]1CCCN1c1cc(CCC)nc(Nc2cccc(OC)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
GBA1 P04062 1/20 0.43
KCNH3 Q9ULD8 1/20 0.43
PAK4 O96013 1/20 0.41
PAK1 Q13153 1/20 0.41
VSIR Q9H7M9 1/20 0.41
MTOR P42345 1/20 0.41
SMG1 Q96Q15 1/20 0.41
IGF1R P08069 1/20 0.41
ALK Q9UM73 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL17745928 0.89 GALR2 (0.41) GBA1MAPTSMN1; SMN2GALR2LMNA
SCHEMBL12486170 0.88 MAPK1 (0.45) MAPK1GBA1KCNH3PAK4PAK1
SCHEMBL12484910 0.87 GBA1 (0.46) MAPK1GBA1KCNH3PAK4PAK1
SCHEMBL12484076 0.87 MAPK1 (0.44) MAPK1GBA1KCNH3CTSLCTSB
SCHEMBL12484082 0.87 MAPK1 (0.44) MAPK1GBA1KCNH3CTSLCTSB
SCHEMBL12484904 0.87 GBA1 (0.46) MAPK1GBA1KCNH3PAK4PAK1
SCHEMBL12486751 0.86 MAPK1 (0.45) MAPK1GBA1KCNH3PAK4PAK1
SCHEMBL12485319 0.83 GBA1 (0.48) MAPK1GBA1KCNH3PAK4PAK1
SCHEMBL12486104 0.82 GALR2 (0.56) MAPK1GBA1KCNH3MTORSMG1
SCHEMBL12485520 0.81 MTOR (0.59) MAPK1GBA1VSIRMTORSMG1

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
EP-2678332-B1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2016-05-18 EP disclosed