SCHEMBL7470949

SCHEMBL7470949

Nc1nccn1-c1ccccc1C(=O)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ MAPK14 Q16539 3/20 0.36
▸ LMNA P02545 2/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL7475318 0.86 MAPK14 (0.42) KDM4ETSHRKMT2AALDH1A1TDP1
SCHEMBL7475041 0.85 F7 (0.42) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL7474375 0.81 MAPK14 (0.43) KDM4ETSHRMEN1KMT2AMAPT
SCHEMBL7469629 0.81 KMT2A (0.44) KDM4ETSHRKMT2AALDH1A1PKM
SCHEMBL7471290 0.81 ALDH1A1 (0.41) KDM4ETSHRALDH1A1ATMNPSR1
SCHEMBL7477253 0.77 KDM4E (0.49) KDM4EALDH1A1HSP90AA1ATMNPSR1
SCHEMBL7473148 0.76 MAPK14 (0.44) TSHRALDH1A1MAPTGAAMAPK14
SCHEMBL7473758 0.76 ALDH1A1 (0.54) MEN1KMT2AALDH1A1HSP90AA1ATM
SCHEMBL7471841 0.76 MAPK14 (0.44) ALDH1A1HSP90AA1ATMNPSR1TLR9
SCHEMBL7474779 0.76 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HSP90AA1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 — — EP disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 — — EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 — — WO disclosed
Send feedback