SCHEMBL31155928

SCHEMBL31155928

Nc1cc(N)nc(-c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.64
▸ ADORA1 P30542 2/20 0.64
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ ASIC3 Q9UHC3 4/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ MAPT P10636 4/20 0.57
▸ HPGD P15428 4/20 0.57
▸ KDM4E B2RXH2 4/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HSP90AA1 P07900 1/20 0.50
▸ HSP90AB1 P08238 1/20 0.50
▸ ACHE P22303 1/20 0.50
▸ GLA P06280 1/20 0.49
▸ AGTR1 P30556 1/20 0.48
▸ SMARCA2 P51531 1/20 0.48
▸ SMARCA4 P51532 1/20 0.48
▸ PBRM1 Q86U86 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL4257668 0.89 ADORA2A (0.67) ADORA2AADORA1MEN1KMT2AASIC3
SCHEMBL19417187 0.84 MEN1 (0.64) ADORA2AADORA1MEN1KMT2AASIC3
SCHEMBL4257749 0.83 MEN1 (0.79) ADORA2AADORA1MEN1KMT2AASIC3
SCHEMBL19417245 0.81 MEN1 (0.83) ADORA2AADORA1MEN1KMT2AASIC3
SCHEMBL19417164 0.81 MEN1 (0.83) ADORA2AADORA1MEN1KMT2AASIC3
SCHEMBL29814953 0.81 ADORA2A (0.42) ADORA2AADORA1MEN1KMT2AASIC3
SCHEMBL14927901 0.79 ADORA2A (0.55) ADORA2AADORA1MEN1KMT2AASIC3
SCHEMBL19059887 0.79 ADORA2A (0.55) ADORA2AADORA1MEN1KMT2AASIC3
SCHEMBL3350943 0.79 KDM4E (0.67) ADORA2AADORA1MEN1KMT2AASIC3
SCHEMBL4262493 0.79 ADORA2A (0.60) ADORA2AADORA1MEN1KMT2AASIC3

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
CN-118791418-A Indole compound and preparation method and application thereof 纽欧申医药(上海)有限公司 2024-10-18 — — CN disclosed
WO-2024213032-A1 INDOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 纽欧申医药(上海)有限公司 2024-10-17 — — WO disclosed
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