SCHEMBL6867769

SCHEMBL6867769

CN(C)c1ccnc(N[C@H]2CC[C@@H](NC(=S)NCc3cccc4ccccc34)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
GAS6 Q14393 1/20 0.40
PKM P14618 2/20 0.37
MCHR1 Q99705 4/20 0.37
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 1/20 0.36
MAPK8 P45983 3/20 0.35
MAPK9 P45984 3/20 0.35
MAPK10 P53779 3/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL6867777 1.00 MEN1 (0.41) MEN1KMT2ALMNAFLT3TYRO3
SCHEMBL6867785 0.88 ACHE (0.46) MEN1KMT2ALMNAMCHR1ACHE
SCHEMBL6867794 0.88 ACHE (0.46) MEN1KMT2ALMNAMCHR1ACHE
SCHEMBL6456622 0.85 SIGMAR1 (0.48) MCHR1ACHEALDH1A1SMN1; SMN2ADRA2A
SCHEMBL6456613 0.85 SIGMAR1 (0.48) MCHR1ACHEALDH1A1SMN1; SMN2ADRA2A
SCHEMBL6867944 0.85 ADRA2A (0.42) MEN1KMT2AFLT3TYRO3MERTK
SCHEMBL6867978 0.85 ADRA2A (0.42) MEN1KMT2AFLT3TYRO3MERTK
SCHEMBL6878132 0.84 MEN1 (0.49) MEN1KMT2ALMNAPKMMCHR1
SCHEMBL6878118 0.84 MEN1 (0.49) MEN1KMT2ALMNAPKMMCHR1
SCHEMBL6872864 0.83 ALDH1A1 (0.56) MEN1KMT2ALMNAMCHR1KDM4E

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed