SCHEMBL4766017

SCHEMBL4766017

Cc1nc(C)c(-c2ccccn2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
METAP1 P53582 6/20 0.46
LMNA P02545 4/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALOX15 P16050 2/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALPL P05186 1/20 0.45
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL6763113 0.80 L3MBTL1 (0.44) KDM4EMETAP1LMNACCR1CCR5
SCHEMBL4766148 0.80 KDM4E (0.67) KDM4ELMNAHIF1ASMN1; SMN2HTT
SCHEMBL24589288 0.80 HTT (0.43) KDM4EMETAP1LMNACCR1CCR5
SCHEMBL7370953 0.75 MGAM (0.49) KDM4EMETAP1LMNASMN1; SMN2L3MBTL1
SCHEMBL9385179 0.73 METAP2 (0.54) KDM4EMETAP1LMNAHIF1ASMN1; SMN2
SCHEMBL5850257 0.72 KDM4E (0.68) KDM4ELMNACYP1A2POLBSMN1; SMN2
SCHEMBL15996311 0.72 KDM4E (0.48) KDM4EMETAP1LMNACCR1CCR5
SCHEMBL17810407 0.71 KDM4E (0.54) KDM4EMETAP1LMNAHIF1ASMN1; SMN2
SCHEMBL24427583 0.71 HIF1A (0.38) KDM4ECCR1CCR5CCR8POLB
SCHEMBL14341067 0.70 KDM4E (0.56) KDM4EMETAP1LMNACCR1CCR5

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
WO-2022135365-A1 DISUBSTITUTED CYCLOPENTANE KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-06-30 WO disclosed
US-20120122212-A1 TGF-BETA PATHWAY INHIBITORS FOR ENHANCEMENT OF CELLULAR REPROGRAMMING OF HUMAN CELLS IPIERIAN, INC. 2012-05-17 US disclosed