SCHEMBL21043060

SCHEMBL21043060

Cc1ccnc2c(C=O)cn(Cc3cccc(F)c3F)c12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ P2RX7 Q99572 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ PKLR P30613 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ ALKBH1 Q13686 1/20 0.31
▸ AKR1A1 P14550 1/20 0.31
▸ AKR1B1 P15121 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
SCHEMBL21043049 0.86 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2P2RX7MEN1
SCHEMBL22001365 0.80 ALDH1A1 (0.53) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL22001366 0.79 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL21042583 0.76 SMN1; SMN2 (0.44) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL21043124 0.74 GRK2 (0.42) ALDH1A1HTTSMN1; SMN2P2RX7PKM
SCHEMBL21043082 0.72 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL22001368 0.70 ALDH1A1 (0.66) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL19997527 0.68 PDE10A (0.43) P2RX7LMNA
SCHEMBL22001173 0.66 BRD4 (0.44) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL22001748 0.65 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2MEN1KMT2A

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 2 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
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