SCHEMBL21285488

SCHEMBL21285488

Cc1ccc(N2CCN(c3ccc4c(Br)cn(C5CCC5)c4n3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ C1S P09871 1/20 0.36
▸ CSF1R P07333 2/20 0.35
▸ CDK4 P11802 4/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ INSR P06213 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ SRC P12931 1/20 0.33

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
SCHEMBL21285460 0.79 AURKA (0.47) DGAT1KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL21268721 0.73 GPR119 (0.39) GPR119
SCHEMBL21268723 0.73 GPR119 (0.39) GPR119
SCHEMBL7922940 0.70 GRIA1 (0.41) MAPTCSF1RCDK4FLT3HRH3
SCHEMBL21285560 0.68 L3MBTL3 (0.41) KDM4EMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL21285520 0.68 MAP4K4 (0.38) MAPTALDH1A1L3MBTL1KDRCCNA2
SCHEMBL22823018 0.68 MAP4K4 (0.38) MAPTALDH1A1L3MBTL1KDRCCNA2
SCHEMBL82007 0.67 L3MBTL3 (0.58) L3MBTL1HRH3
SCHEMBL18296369 0.64 L3MBTL3 (0.58) L3MBTL1HRH3
SCHEMBL21281590 0.64 PARP1 (0.36) DGAT1SMN1; SMN2CDK4AURKAINSR

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-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO disclosed
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