SCHEMBL27717343

SCHEMBL27717343

O=C(Nc1cnc(Nc2ccc(N3CCN(CCO)CC3)nc2)nc1)c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ LCK P06239 3/20 0.49
▸ MAPK14 Q16539 3/20 0.49
▸ CHRM5 P08912 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ PPARG P37231 2/20 0.47
▸ SRC P12931 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDR P35968 2/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ MT-CO2 P00403 1/20 0.43
▸ PKMYT1 Q99640 1/20 0.43
▸ AURKA O14965 1/20 0.43

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
SCHEMBL5998031 0.90 LCK (0.62) RAB9AL3MBTL1LCKMAPK14SRC
SCHEMBL5998192 0.77 SRC (0.47) SRCMAPK1WNT3AWEE1
SCHEMBL5997162 0.75 MAPT (0.48) L3MBTL1SRCCYP1A2LMNAMAPT
SCHEMBL5997660 0.75 LCK (0.55) LCKMAPK14SRCWEE1
SCHEMBL12190166 0.74 CYP11B2 (0.63) RAB9AMAPTMAPK1SMN1; SMN2TDP1
SCHEMBL5997282 0.74 SRC (0.59) LCKMAPK14PPARGSRCLMNA
SCHEMBL4967865 0.73 MAPK8 (0.49) RAB9AL3MBTL1CHRM1LMNAMAPT
SCHEMBL5997109 0.73 ABL1 (0.63) LCKMAPK14SRCKDRPKMYT1
SCHEMBL399009 0.72 SMO (0.56) RAB9AL3MBTL1CHRM1LMNAMAPT
SCHEMBL5996482 0.71 SRC (0.51) RAB9ALCKMAPK14SRCMAPT

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
CN-101155799-A Pyrimidine inhibitors of kinases TARGEGEN INC (US) 2008-04-02 — — CN disclosed
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