SCHEMBL25416552

SCHEMBL25416552

Nc1cc(-c2nnc3ccccn23)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
HSD17B10 Q99714 2/20 0.53
KMT2A Q03164 2/20 0.53
PIM1 P11309 4/20 0.51
PIM2 Q9P1W9 4/20 0.51
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AKT1 P31749 1/20 0.43
MAPK8 P45983 2/20 0.39
MAPK9 P45984 2/20 0.39
MAPK10 P53779 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
KHK P50053 3/20 0.39
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
ABL1 P00519 1/20 0.37
PDGFRA P16234 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDK7 P50613 1/20 0.37

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
SCHEMBL25421165 0.82 KDM4E (0.53) KDM4EHSD17B10KMT2APIM1PIM2
SCHEMBL23458576 0.77 KDM4E (0.67) KDM4EHSD17B10KMT2APIM1PIM2
SCHEMBL18606919 0.76 MIF (0.58) MAPK8ADORA3CDK2DYRK1A
SCHEMBL6219388 0.75 KDM4E (0.73) KDM4EHSD17B10KMT2APIM1ALDH1A1
SCHEMBL30498956 0.74 KDM4E (0.58) KDM4EHSD17B10KMT2APIM1PIM2
SCHEMBL22322737 0.73 KDM4E (0.57) KDM4EHSD17B10KMT2APIM1PIM2
SCHEMBL25419836 0.73 KDM4E (0.53) KDM4EHSD17B10KMT2APIM1PIM2
SCHEMBL30396864 0.73 KDM4E (0.53) KDM4EHSD17B10KMT2APIM1PIM2
SCHEMBL16796056 0.72 KDM4E (0.54) KDM4EHSD17B10KMT2APIM1PIM2
SCHEMBL15300436 0.70 PIM1 (0.69) PIM1PIM2MAPK8MAPK9MAPK10

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