SCHEMBL9225650

SCHEMBL9225650

CN(c1ccccn1)c1ncnc2[nH]cnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
CSF1R P07333 5/20 0.40
EGFR P00533 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
LRRK2 Q5S007 3/20 0.36
HTT P42858 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
CHEK2 O96017 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PRKACA P17612 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MARK3 P27448 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
SCHEMBL8502760 0.81 CSF1R (0.60) L3MBTL1CSF1REGFRLRRK2HTT
Dimethyladenine SCHEMBL152593 0.74 LRRK2 (0.52) CSF1REGFRCYP2D6JAK3LRRK2
SCHEMBL8495356 0.73 CSF1R (0.36) L3MBTL1CSF1REGFRJAK2LRRK2
SCHEMBL10645656 0.73 CSF1R (0.36) L3MBTL1CSF1REGFRLRRK2HTT
Dimethyladenine SCHEMBL11157543 0.73 LRRK2 (0.50) CSF1REGFRCYP2D6JAK3LRRK2
SCHEMBL6517684 0.73 LRRK2 (0.42) CSF1REGFRJAK2JAK3LRRK2
Dimethyladenine SCHEMBL28476806 0.73 LRRK2 (0.50) CSF1REGFRCYP2D6JAK3LRRK2
SCHEMBL29100435 0.72 LRRK2 (0.41) CSF1REGFRJAK2JAK3LRRK2
SCHEMBL9219718 0.71 CSF1R (0.63) CSF1REGFRHTTKDM4ELMNA
SCHEMBL10649356 0.70 CSF1R (0.39) CSF1REGFRJAK3LRRK2CHEK1

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
US-5411929-A Thermally-processable image recording materials including substituted purine compounds POLAROID CORPORATION (US) 1995-05-02 US claimed
US-5411929-A Thermally-processable image recording materials including substituted purine compounds POLAROID CORPORATION (US) 1995-05-02 US disclosed