SCHEMBL1719945

SCHEMBL1719945

CC(=O)N1CCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)nc23)CC1.Nc1nc(N2CCN(C(=O)c3cccc4ccccc34)CC2)c2nc(-c3ccc(F)cc3)[nH]c2n1.Nc1nc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2nc(-c3ccc(F)cc3)[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.41
MAPK1 P28482 1/20 0.40
GPR183 P32249 1/20 0.37
USP2 O75604 1/20 0.37
RORC P51449 1/20 0.36
KIT P10721 4/20 0.36
PKM P14618 1/20 0.35
GRM4 Q14833 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
SPR P35270 1/20 0.35
TGM2 P21980 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1694204 0.97 MAPK1 (0.42) ALDH1A1HIF1AMAPK1GPR183USP2
SCHEMBL653419 0.86 USP2 (0.48) ALDH1A1MAPK1USP2KITPKM
SCHEMBL653321 0.85 HSD11B1 (0.43) GPR183HRH4KMT2A
SCHEMBL654247 0.79 HRH4 (0.48) KITHRH4
SCHEMBL654044 0.74 GFER (0.53) ALDH1A1GPR183KITHRH4MEN1
SCHEMBL1721326 0.71 GFER (0.49) ALDH1A1GPR183KITHRH4MEN1
SCHEMBL654187 0.70 PI4KB (0.48) ALDH1A1MAPK1USP2MEN1KMT2A
SCHEMBL654776 0.70 ALDH1A1 (0.51) ALDH1A1KITKMT2A
SCHEMBL653903 0.70 HSP90AA1 (0.51) KITHRH4MEN1KMT2A
SCHEMBL654230 0.69 HRH4 (0.44) ALDH1A1HRH4

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