SCHEMBL25530656

SCHEMBL25530656

CC(C)(C)OC(=O)N=CC1CCCN(c2nnc3ccccn23)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
METTL3 Q86U44 1/20 0.33
KCNK3 O14649 3/20 0.33
KCNK9 Q9NPC2 3/20 0.33
PIM1 P11309 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
MET P08581 1/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GPR119 Q8TDV5 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPK14 Q16539 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31

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
SCHEMBL25417601 0.78 MAP4K4 (0.49) KMT2APIM1PIM2MET
SCHEMBL25530547 0.78 MAP4K4 (0.49) KMT2APIM1PIM2MET
SCHEMBL30397448 0.78 MAP4K4 (0.49) KMT2APIM1PIM2MET
SCHEMBL25529006 0.74 PIM1 (0.48) PIM1PIM2MET
SCHEMBL23107339 0.72 MAP4K4 (0.36) METGPR119
SCHEMBL20460061 0.70 IRAK1 (0.33) PIM1PIM2
SCHEMBL18600085 0.69 GAA (0.46) KMT2APIM1PIM2HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL25418958 0.68 PIM1 (0.55) PIM1PIM2IRAK4
SCHEMBL25530705 0.67 CYP3A4 (0.30)
SCHEMBL18600082 0.66 LMNA (0.50) KMT2AALDH1A1GPR119MAPTTDP1

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
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed