SCHEMBL1720562

SCHEMBL1720562

Cc1cccc(OCC(=O)N2CCN(c3nc(N)nc4sc(CCc5ccc(F)cc5)nc34)CC2)c1.Nc1nc(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c2nc(CCc3ccc(F)cc3)sc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 5/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ ALDH1A1 P00352 7/20 0.42
▸ MAPT P10636 4/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ RECQL P46063 1/20 0.41
▸ CHIA Q9BZP6 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NR2E3 Q9Y5X4 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL655035 0.95 CNR1 (0.51) PI4KBCNR1ALDH1A1MAPTNPSR1
SCHEMBL653219 0.92 PI4KB (0.53) PI4KBALDH1A1MAPTNPSR1MAPK1
SCHEMBL655951 0.89 PI4KB (0.53) PI4KBALDH1A1MAPTNPSR1MAPK1
SCHEMBL655575 0.88 PI4KB (0.56) PI4KBALDH1A1MAPTMAPK1CHIA
SCHEMBL655387 0.88 PI4KB (0.53) PI4KBALDH1A1MAPTNPSR1MAPK1
SCHEMBL1721353 0.86 PI4KB (0.51) PI4KBALDH1A1MAPTNPSR1MAPK1
SCHEMBL653995 0.86 PI4KB (0.52) PI4KBCNR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL655043 0.86 PI4KB (0.53) PI4KBALDH1A1MAPTNPSR1MAPK1
SCHEMBL655565 0.86 PI4KB (0.53) PI4KBALDH1A1MAPTNPSR1MAPK1
SCHEMBL654600 0.86 PI4KB (0.52) PI4KBALDH1A1MAPTNPSR1MAPK1

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
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