SCHEMBL29711491

SCHEMBL29711491

N#Cc1c(C2CCC(c3ccc(Br)cc3)C2)n[nH]c1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 1/20 0.34
▸ PRKACG P22612 1/20 0.34
▸ PRKACB P22694 1/20 0.34
▸ IDO1 P14902 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PLA2G2A P14555 1/20 0.32
▸ KDM1A O60341 5/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ MAOB P27338 2/20 0.31
▸ RCOR1 Q9UKL0 2/20 0.31
▸ KDM1B Q8NB78 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL20564864 0.79 ALDH1A1 (0.37) PRKACAPRKACGPRKACBIDO1NPSR1
SCHEMBL31278318 0.79 PRKACA (0.46) PRKACAPRKACGPRKACBMEN1KMT2A
SCHEMBL21877758 0.69 PRKACA (0.38) PRKACAPRKACGPRKACBALDH1A1PKM
SCHEMBL21877759 0.69 PRKACA (0.38) PRKACAPRKACGPRKACBALDH1A1PKM
SCHEMBL17447896 0.68 PIK3CD (0.45) PRKACAPRKACGPRKACBMEN1KMT2A
SCHEMBL17447898 0.68 PIK3CD (0.45) PRKACAPRKACGPRKACBMEN1KMT2A
SCHEMBL15613582 0.68 ADORA1 (0.54) PRKACAPRKACGPRKACBIDO1MEN1
SCHEMBL31278050 0.67 PRKACA (0.39) PRKACAPRKACGPRKACB
SCHEMBL23630311 0.65 ALDH1A1 (0.43) PRKACAPRKACGPRKACBMEN1KMT2A
SCHEMBL17447903 0.64 ADORA2A (0.36) PRKACAPRKACGPRKACBADORA2AADORA1

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
CN-114591242-A Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2022-06-07 — — CN disclosed
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