SCHEMBL20180649

SCHEMBL20180649

Cc1ccc(N2CCN(C)C(C3CN(c4ccc(N)cc4)CCN3C)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
GFER P55789 4/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
GAA P10253 3/20 0.51
KMT2A Q03164 3/20 0.51
ADRA2C P18825 1/20 0.51
PTK2B Q14289 1/20 0.51
ESR2 Q92731 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.44
RAD52 P43351 1/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACHE P22303 1/20 0.42
CASP6 P55212 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL12240582 0.80 MAPT (0.69) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL4159588 0.80 MAPT (0.55) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL188214 0.78 ADRA2C (0.56) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL188069 0.78 ADRA2C (0.56) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL1814699 0.78 ADRA2C (0.56) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL854828 0.77 MAPT (0.55) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL81498 0.76 ADRA2A (0.52) ADRA2CADRB1
SCHEMBL10293570 0.76 ADRA2A (0.52) ADRA2CADRB1
SCHEMBL17898055 0.76 ADRA2A (0.52) ADRA2CADRB1
SCHEMBL2882914 0.74 HRH3 (0.62) MAPTGFERALDH1A1KDM4EGAA

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
WO-2018090939-A1 8,9-DIHYDROIMIDAZOLE[1,2-A]PYRIMIDO[5,4-E]PYRIMIDINE-5(6H)-KETONE COMPOUND 上海瑛派药业有限公司 2018-05-24 WO disclosed