SCHEMBL20150368

SCHEMBL20150368

CNc1nc(N)ncc1I

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
BCL6 P41182 2/20 0.36
CDK5 Q00535 4/20 0.36
CDK5R1 Q15078 4/20 0.36
CLK1 P49759 5/20 0.34
CHUK O15111 1/20 0.33

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
SCHEMBL16011451 0.78 NUDT1 (0.42) NUDT1L3MBTL1BCL6CHUK
SCHEMBL2745753 0.77 NUDT1 (0.58) NUDT1BCL6
SCHEMBL18567341 0.77 CYP1A2 (0.30)
SCHEMBL2744648 0.75 BCL6 (0.56) NUDT1L3MBTL1BCL6CDK5CHUK
SCHEMBL14994344 0.75 BCL6 (0.56) NUDT1BCL6
SCHEMBL20150284 0.75 JAK1 (0.46) NUDT1L3MBTL1BCL6CHUK
SCHEMBL3644211 0.75 XDH (0.41) L3MBTL1
SCHEMBL2745948 0.73 DHFR (0.43) NUDT1
SCHEMBL20434305 0.73 L3MBTL1 (0.63) L3MBTL1
SCHEMBL5763052 0.72 NUDT1 (0.38) NUDT1L3MBTL1BCL6CHUK

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-3530657-A1 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE Zhejiang University (CN) 2019-08-28 EP disclosed
WO-2018086546-A1 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE 浙江大学 2018-05-17 WO disclosed