SCHEMBL25736764

SCHEMBL25736764

CCNc1nc(Cl)nc(N2CCOCC2)c1NC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
CTSK P43235 3/20 0.36
CTSS P25774 2/20 0.36
KCNH2 Q12809 1/20 0.36
CTSL P07711 1/20 0.36
TACR2 P21452 2/20 0.36
POLB P06746 3/20 0.36
NUDT1 P36639 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3405879 0.82 CTSK (0.53) SMN1; SMN2KMT2AALDH1A1MEN1KDM4E
SCHEMBL3399391 0.77 ALDH1A1 (0.47) SMN1; SMN2KMT2AALDH1A1MEN1KDM4E
SCHEMBL13650781 0.71 NUDT1 (0.61) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL27961208 0.68 MAP2K7 (0.40) SMN1; SMN2KMT2AALDH1A1MEN1KDM4E
SCHEMBL12068673 0.68 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AALDH1A1MEN1KDM4E
SCHEMBL7930954 0.67 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4EMAPTMAPK1
SCHEMBL13828994 0.67 NUDT1 (0.46) SMN1; SMN2KMT2AALDH1A1MEN1KDM4E
SCHEMBL3403384 0.66 CYP3A4 (0.43) CTSKCTSSKCNH2
SCHEMBL3402052 0.66 CTSK (0.53) SMN1; SMN2MAPTCTSKCTSSKCNH2
SCHEMBL3425396 0.66 ALDH1A1 (0.45) SMN1; SMN2KMT2AALDH1A1MEN1KDM4E

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-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed