SCHEMBL26627416

SCHEMBL26627416

Cc1cccnc1NC(=O)c1cscn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
KMT2A Q03164 2/20 0.56
RAB9A P51151 11/20 0.55
NPC1 O15118 9/20 0.55
KDM4E B2RXH2 3/20 0.50
HTT P42858 2/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SORT1 Q99523 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL13626622 0.79 PIM1 (0.59) KMT2ARAB9ANPC1KDM4EHTT
Ammonia Solution, Strong SCHEMBL27976383 0.78 PIM1 (0.57) KMT2ARAB9ANPC1KDM4EHTT
SCHEMBL7368441 0.75 L3MBTL1 (0.69) L3MBTL1KMT2ARAB9ANPC1KDM4E
SCHEMBL2100277 0.75 NPC1 (0.58) L3MBTL1KMT2ARAB9ANPC1KDM4E
SCHEMBL28703760 0.74 RAB9A (0.81) L3MBTL1KMT2ARAB9ANPC1KDM4E
SCHEMBL29376441 0.74 RAB9A (0.81) L3MBTL1KMT2ARAB9ANPC1KDM4E
SCHEMBL1558713 0.74 RAB9A (0.70) L3MBTL1KMT2ARAB9ANPC1KDM4E
SCHEMBL7532358 0.74 KMT2A (0.68) L3MBTL1KMT2ARAB9ANPC1KDM4E
SCHEMBL30421156 0.73 RAB9A (0.65) L3MBTL1KMT2ARAB9ANPC1KDM4E
SCHEMBL5629538 0.73 RAB9A (0.65) L3MBTL1KMT2ARAB9ANPC1KDM4E

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-2024082724-A1 PIM KINASE INHIBITOR IN COMBINATION WITH KRAS INHIBITOR NINGBO NEWBAY TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2024-04-25 WO disclosed
WO-2023202563-A1 AKT INHIBITOR IN COMBINATION WITH PIM KINASE INHIBITOR NEWBAY TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-10-26 WO disclosed