SCHEMBL21043472

SCHEMBL21043472

CC(=O)c1cn(Cc2ccc(F)cn2)c2c(Cl)ccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ FSCN1 Q16658 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CFD P00746 1/20 0.32
▸ NTRK1 P04629 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NOD2 Q9HC29 1/20 0.31

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
SCHEMBL22001367 0.80 SMN1; SMN2 (0.36) POLBSMN1; SMN2ALDH1A1
SCHEMBL16628258 0.78 CHRM1 (0.32) JAK2JAK1
SCHEMBL16593218 0.78 CHRM1 (0.53) —
SCHEMBL19997556 0.75 RPS6KB1 (0.42) POLBL3MBTL1PDE4APDE4BPDE4C
SCHEMBL21042786 0.71 POLB (0.47) POLBL3MBTL1SMN1; SMN2FSCN1ALDH1A1
SCHEMBL21043087 0.69 BRD4 (0.41) NR3C1L3MBTL1ADRA1DJAK2JAK1
SCHEMBL16593249 0.69 CHRM1 (0.50) KCNH2
SCHEMBL22001757 0.67 ALDH1A1 (0.33) L3MBTL1SMN1; SMN2ALDH1A1MAPTKCNH2
SCHEMBL21043066 0.66 POLB (0.69) POLBL3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL21043468 0.66 CCR1 (0.31) —

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-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 — — EP disclosed
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