SCHEMBL2550865

SCHEMBL2550865

N#CSc1nc(Nc2cc(C#N)ccc2N)ncc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 1/20 0.38
▸ KAT2B Q92831 1/20 0.36
▸ VCAM1 P19320 1/20 0.36
▸ MAPT P10636 7/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ LRRK2 Q5S007 2/20 0.34
▸ TDP1 Q9NUW8 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ MYC P01106 1/20 0.32
▸ WDR5 P61964 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL1266099 0.88 GSK3B (0.35) MAPTLMNAGSK3BTDP1ALDH1A1
SCHEMBL1917614 0.82 MERTK (0.47) MERTKMAPTGSK3BKMT2AMEN1
SCHEMBL1473991 0.81 PDE7A (0.35) MAPTLMNAGSK3BTDP1ALDH1A1
SCHEMBL1918193 0.81 SYK (0.51) GSK3BIGF1RAURKAGSK3A
SCHEMBL27823312 0.78 VNN1 (0.45) MAPTGSK3BLRRK2ALDH1A1KMT2A
SCHEMBL1917964 0.78 PRKCQ (0.40) MERTKVCAM1MAPTLMNAGSK3B
SCHEMBL1917779 0.77 GSK3B (0.48) MAPTGSK3BLRRK2KMT2AMEN1
SCHEMBL3910643 0.75 GSK3B (0.62) MAPTLMNAGSK3BTDP1ALDH1A1
SCHEMBL1917553 0.75 CDK2 (0.53) MAPTGSK3BALDH1A1KMT2AMEN1
SCHEMBL1265128 0.75 CYP1A2 (0.43) MAPTLMNAGSK3BLRRK2TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011121597-A1 A PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED 3-(5-NITRO-4-THIOCYANATOPYRIMIDIN-2-YL)-3H-BENZO [d]-IMIDAZOLE NEULAND LABORATORIES LTD. (IN) 2011-10-06 — — WO claimed
WO-2011121597-A1 A PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED 3-(5-NITRO-4-THIOCYANATOPYRIMIDIN-2-YL)-3H-BENZO [d]-IMIDAZOLE NEULAND LABORATORIES LTD. (IN) 2011-10-06 — — WO disclosed
WO-2011121597-A1 A PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED 3-(5-NITRO-4-THIOCYANATOPYRIMIDIN-2-YL)-3H-BENZO [d]-IMIDAZOLE NEULAND LABORATORIES LTD. (IN) 2011-10-06 — — WO disclosed
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