SCHEMBL16628330

SCHEMBL16628330

Cc1ccnc2c(C(N)=O)cn(Cc3ccc(F)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.41
▸ SOS1 Q07889 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GRM2 Q14416 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ SCD O00767 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ FSCN1 Q16658 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ TP53 P04637 1/20 0.37

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
SCHEMBL19997529 0.89 ADRA1D (0.48) CHRM1SMN1; SMN2SCDP2RX7TP53
SCHEMBL21043053 0.88 CHRM1 (0.43) CHRM1L3MBTL1SMN1; SMN2SCDP2RX7
SCHEMBL21042584 0.87 POLB (0.42) POLBRPS6KB1SOS1RXFP1MAPK14
SCHEMBL19997556 0.86 RPS6KB1 (0.42) POLBRPS6KB1MAPK14L3MBTL1GRM2
SCHEMBL16628262 0.86 NPC1 (0.47) CHRM1POLBRPS6KB1L3MBTL1MEN1
SCHEMBL21043057 0.85 LMNA (0.47) CHRM1L3MBTL1MEN1KMT2AMAPT
SCHEMBL16628266 0.82 LMNA (0.49) RPS6KB1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL21043062 0.81 NNMT (0.42) CHRM1GRM2P2RX7
SCHEMBL22001366 0.79 ALDH1A1 (0.48) SOS1RXFP1L3MBTL1MEN1KMT2A
SCHEMBL16593207 0.78 CHRM1 (0.59) CHRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489237-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2020-05-13 — — EP disclosed
EP-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 — — EP disclosed
US-9926312-B2 4-azaindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-03-27 — — US disclosed
WO-2015049574-A1 4-AZAINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-09 — — WO disclosed
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