SCHEMBL22031236

SCHEMBL22031236

COc1ccc(CN2C3CC2CN(C)C3)cc1Cn1cccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 7/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HTT P42858 3/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
RET P07949 1/20 0.50
MAPT P10636 4/20 0.45
SIGMAR1 Q99720 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.38
PDE4B Q07343 1/20 0.38
KAT7 O95251 4/20 0.36
KAT6A Q92794 4/20 0.36
KAT6B Q8WYB5 3/20 0.36
KAT5 Q92993 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36

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
SCHEMBL22031238 0.91 L3MBTL1 (0.54) L3MBTL1KMT2AMEN1ALDH1A1LMNA
SCHEMBL20069807 0.89 L3MBTL1 (0.57) L3MBTL1KMT2AMEN1ALDH1A1LMNA
SCHEMBL10066968 0.79 KMT2A (0.56) L3MBTL1KMT2AMEN1ALDH1A1LMNA
SCHEMBL4345848 0.77 KMT2A (0.54) L3MBTL1KMT2AMEN1ALDH1A1LMNA
SCHEMBL20069798 0.75 SIGMAR1 (0.55) KMT2AMEN1ALDH1A1HTTTDP1
SCHEMBL22811975 0.74 SIGMAR1 (0.54) L3MBTL1ALDH1A1LMNAHTTRET
SCHEMBL20153219 0.74 SIGMAR1 (0.54) KMT2AMEN1ALDH1A1NPSR1TDP1
SCHEMBL10053919 0.72 MEN1 (0.50) L3MBTL1KMT2AMEN1ALDH1A1LMNA
SCHEMBL10022368 0.69 L3MBTL1 (0.49) L3MBTL1KMT2AMEN1ALDH1A1LMNA
SCHEMBL28853149 0.69 ADRB2 (0.54) L3MBTL1KMT2AMEN1ALDH1A1LMNA

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-3753939-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma Inc. (US) 2020-12-23 EP disclosed
EP-3523301-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-05-27 EP disclosed