SCHEMBL6537579

SCHEMBL6537579

CN1CCN(c2c(Br)cnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.51
MAPK8 P45983 8/20 0.51
LCK P06239 1/20 0.49
MAPK14 Q16539 1/20 0.49
ATR Q13535 4/20 0.42
MAPK1 P28482 3/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL6537941 0.86 CSF1R (0.49) MAPK10MAPK8LCKMAPK14ATR
SCHEMBL6538059 0.85 LCK (0.47) MAPK10MAPK8LCKMAPK14ATR
SCHEMBL6537773 0.82 LMNA (0.64) MAPK10MAPK1KDM4EMEN1KMT2A
SCHEMBL6537933 0.80 TYK2 (0.44) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6537962 0.79 TYK2 (0.46) MEN1KMT2ASMN1; SMN2HTT
SCHEMBL6537417 0.79 TYK2 (0.40) ATRTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6537346 0.78 CYP3A4 (0.47) ATRMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6537716 0.77 HSD17B10 (0.52) LCKMAPK14MAPK1TSHRKDM4E
SCHEMBL8489798 0.77 KDM4E (0.46) LCKMAPK14KDM4EMEN1KMT2A
SCHEMBL8489794 0.76 LCK (0.44) MAPK10MAPK8LCKMAPK14ATR

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-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed