SCHEMBL7710235

SCHEMBL7710235

[CH]1C=CN=C(N2CCN(c3ncccn3)CC2)N1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
USP2 O75604 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A7 Q99884 2/20 0.36

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
SCHEMBL5801123 0.77 MAPT (0.43) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL6663539 0.73
SCHEMBL10498542 0.73 LMNA (0.70) KDM4EALDH1A1LMNAMAPTTSHR
SCHEMBL12812532 0.65 LMNA (0.53) KDM4EALDH1A1LMNAMAPTTSHR
SCHEMBL18228600 0.65 KDM4E (0.60) KDM4EALDH1A1LMNAMAPTTSHR
SCHEMBL3339822 0.65 KDM4E (0.60) KDM4EALDH1A1LMNAMAPTTSHR
SCHEMBL2168776 0.65 KDM4E (0.60) KDM4EALDH1A1LMNAMAPTTSHR
SCHEMBL10530529 0.65 LMNA (0.53) KDM4EALDH1A1LMNAMAPTGAA
2-Piperazin-1-Yl-Pyrimidine SCHEMBL169214 0.64 ALDH1A1 (0.95) KDM4EALDH1A1LMNAMAPTTSHR
SCHEMBL13116773 0.64 LMNA (0.57) KDM4EALDH1A1LMNAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed