SCHEMBL7922940

SCHEMBL7922940

O=c1ncn(C2CCC2)c2nc(N3CCN(c4ccncc4)CC3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.41
▸ GRIA2 P42262 1/20 0.41
▸ GRIA3 P42263 1/20 0.41
▸ GRIA4 P48058 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HRH3 Q9Y5N1 3/20 0.36
▸ CHKA P35790 1/20 0.36
▸ FLT3 P36888 4/20 0.35
▸ CSF1R P07333 2/20 0.33
▸ HCAR1 Q9BXC0 1/20 0.33
▸ CDK4 P11802 2/20 0.32
▸ CCND1 P24385 2/20 0.32
▸ CCND2 P30279 2/20 0.32
▸ CCND3 P30281 2/20 0.32
▸ NUAK1 O60285 1/20 0.32
▸ MARK3 P27448 1/20 0.32
▸ MARK2 Q7KZI7 1/20 0.32
▸ MARK4 Q96L34 1/20 0.32
▸ NUAK2 Q9H093 1/20 0.32
▸ MARK1 Q9P0L2 1/20 0.32

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
SCHEMBL21285488 0.70 DGAT1 (0.39) MAPTHRH3FLT3CSF1RCDK4
SCHEMBL7917230 0.69 CTSL (0.40) GRIA1GRIA2GRIA3GRIA4FLT3
SCHEMBL21285460 0.64 AURKA (0.47) MAPTHRH3CDK4
SCHEMBL21285560 0.64 L3MBTL3 (0.41) MAPTHRH3
SCHEMBL7923029 0.63 PARP1 (0.43) HRH3
SCHEMBL7922947 0.63 SORD (0.44) MAPTHRH3
SCHEMBL28112415 0.61 CHKA (0.80) MAPTCHKA
SCHEMBL3612171 0.60 GRM1 (0.48) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7956825 0.60 AKR1C3 (0.54) MAPTCHKA
SCHEMBL10747566 0.60 KDM4E (0.47) MAPT

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-2010053127-A1 MODULATOR OF α1GABAA RECEPTOR OR α5GABAA RECEPTOR 協和発酵キリン株式会社 (JP) 2010-05-14 — — WO disclosed
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