SCHEMBL30508693

SCHEMBL30508693

N#Cc1nn[nH]c1-c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
LMNA P02545 3/20 0.42
METAP1 P53582 2/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TP53 P04637 3/20 0.41
TGFBR1 P36897 3/20 0.41
ALOX15 P16050 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL27901735 0.75 KDM4E (0.48) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL9727230 0.75 ERBB2 (0.46) KDM4ECYP1A2POLBNPC1RAB9A
SCHEMBL25428804 0.74 TGFBR1 (0.40) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL25425525 0.74 BTK (0.41) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL3978747 0.74 KDM4E (0.46) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL18005957 0.73 LRRK2 (0.42) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL2791425 0.71 TGFBR1 (0.53) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL7964309 0.69 KDM4E (0.52) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL7964313 0.69 KDM4E (0.50) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL1834558 0.69 PIN1 (0.53) KDM4ELMNAMETAP1CCR1CCR5

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-4466258-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 EP disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed