SCHEMBL1719941

SCHEMBL1719941

Cc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2nc(-c3ccc(F)cc3)oc2n1.Nc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2nc(-c3ccc(F)cc3)oc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 2/20 0.55
POLB P06746 2/20 0.43
MAPT P10636 5/20 0.42
LMNA P02545 5/20 0.42
MAPK1 P28482 1/20 0.42
ENPP2 Q13822 2/20 0.41
ALDH1A1 P00352 5/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FKBP1A P62942 1/20 0.40
HPGD P15428 2/20 0.40
NOD2 Q9HC29 1/20 0.40
CETP P11597 1/20 0.40
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CNR1 P21554 1/20 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
SCHEMBL655662 0.95 PI4KB (0.49) PI4KBPOLBMAPTLMNAMAPK1
SCHEMBL654507 0.95 PI4KB (0.59) PI4KBPOLBMAPTLMNAMAPK1
SCHEMBL655515 0.87 PI4KB (0.61) PI4KBPOLBMAPTLMNAMAPK1
SCHEMBL655283 0.84 POLB (0.49) PI4KBPOLBMAPTLMNAMAPK1
SCHEMBL652838 0.83 PI4KB (0.47) PI4KBPOLBMAPTLMNAMAPK1
SCHEMBL654810 0.82 PI4KB (0.57) PI4KBPOLBMAPTLMNAMAPK1
SCHEMBL654775 0.81 PI4KB (0.59) PI4KBPOLBMAPTLMNAMAPK1
SCHEMBL4113637 0.80 PI4KB (0.63) PI4KBPOLBMAPTLMNAMAPK1
SCHEMBL655731 0.79 PI4KB (0.59) PI4KBPOLBMAPTLMNAMAPK1
SCHEMBL654267 0.79 PI4KB (0.61) PI4KBPOLBMAPTLMNAMAPK1

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-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed