SCHEMBL31463173

SCHEMBL31463173

C#Cc1ccnc(-c2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
LMNA P02545 3/20 0.54
CCR1 P32246 3/20 0.54
CCR5 P51681 3/20 0.54
CCR8 P51685 3/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
METAP1 P53582 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
DOHH Q9BU89 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
KDM6B O15054 1/20 0.47
KDM4A O75164 1/20 0.47
KDM5C P41229 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
KDM3A Q9Y4C1 1/20 0.47
TP53 P04637 3/20 0.47
NPC1 O15118 3/20 0.47

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
SCHEMBL7964599 1.00 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31646249 0.88 HDAC8 (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1332757 0.88 HDAC8 (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31310378 0.85 CCR1 (0.58) KDM4ELMNACCR1CCR5CCR8
SCHEMBL901248 0.81 GRM5 (0.61) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4905631 0.78 GRM5 (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31291029 0.78 HDAC8 (0.44) CCR1CCR5CCR8KDM4CHDAC8
SCHEMBL4075034 0.77 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30693338 0.77 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31291034 0.76 HDAC8 (0.43) CCR1CCR5CCR8KDM4CHDAC8

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-119695101-A Silicon-carbon composite material containing covalent organic framework material coating layer and preparation method thereof 博赛利斯(南京)有限公司 2025-03-25 CN disclosed