SCHEMBL21042786

SCHEMBL21042786

CC(=O)c1cn(Cc2ccc(F)cc2)c2c(C#N)ccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ FSCN1 Q16658 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ GALR3 O60755 1/20 0.38
▸ P2RX7 Q99572 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MITF O75030 1/20 0.36
▸ SOS1 Q07889 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ RXFP1 Q9HBX9 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
SCHEMBL21042787 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTHTTP2RX7
SCHEMBL16593198 0.78 CHRM1 (0.63) —
SCHEMBL21043066 0.75 POLB (0.69) POLBL3MBTL1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL16628330 0.74 CHRM1 (0.43) POLBL3MBTL1ALDH1A1SMN1; SMN2FSCN1
SCHEMBL21042584 0.74 POLB (0.42) POLBL3MBTL1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL19997556 0.73 RPS6KB1 (0.42) POLBL3MBTL1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21043472 0.71 NR3C1 (0.38) POLBL3MBTL1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL16628327 0.70 CHRM1 (0.63) —
SCHEMBL16593288 0.69 CHRM1 (0.60) —
SCHEMBL22001751 0.68 L3MBTL1 (0.35) L3MBTL1ALDH1A1SMN1; SMN2HTTCYP11B1

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
Send feedback