SCHEMBL6537599

SCHEMBL6537599

Cc1c(C#N)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
TYK2 P29597 3/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 2/20 0.40
GHSR Q92847 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.39
LRRK2 Q5S007 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL6537383 0.88 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2TYK2JAK2
SCHEMBL6537745 0.86 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2TYK2JAK2
SCHEMBL6537345 0.86 TYK2 (0.47) TYK2JAK2JAK1MAPTSMN1; SMN2
SCHEMBL6537980 0.84 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2TYK2JAK2
SCHEMBL6538382 0.84 MAPT (0.45) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL6537615 0.84 GAA (0.43) TAS1R3TAS1R1TAS1R2TYK2JAK2
SCHEMBL6537538 0.84 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2TYK2JAK2
SCHEMBL6537790 0.84 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2TYK2JAK2
SCHEMBL6537515 0.83 LMNA (0.41) TAS1R3TAS1R1TAS1R2TYK2JAK2
SCHEMBL6537933 0.82 TYK2 (0.44) TYK2JAK2JAK1MAPTSMN1; SMN2

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 4 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
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed