SCHEMBL8999359

SCHEMBL8999359

CN(C)c1cc(N)cc(-c2c[nH]nc2N=Nc2n[nH]cc2-c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.35
▸ PSMB5 P28074 2/20 0.33
▸ ADK P55263 2/20 0.33
▸ FYN P06241 4/20 0.32
▸ ACHE P22303 2/20 0.32
▸ MKNK1 Q9BUB5 2/20 0.32
▸ MKNK2 Q9HBH9 2/20 0.32
▸ NTRK1 P04629 1/20 0.31
▸ NOX1 Q9Y5S8 1/20 0.31
▸ RPS6KA3 P51812 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ NOTUM Q6P988 1/20 0.30
▸ AURKA O14965 1/20 0.30

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
SCHEMBL8999347 0.73 TDP1 (0.40) —
SCHEMBL3793351 0.73 MAOA (0.48) PSMB5ADKFYNNOX1RPS6KA3
SCHEMBL31060493 0.70 GSK3B (0.42) ACHEMKNK1MKNK2
SCHEMBL3785053 0.69 ALDH1A1 (0.45) FYNACHE
SCHEMBL23728199 0.65 ALDH1A1 (0.39) LRRK2RPS6KA3
SCHEMBL3794874 0.65 MAOA (0.52) ADKFYNMKNK1MKNK2
SCHEMBL1520886 0.65 LRRK2 (0.51) LRRK2PSMB5FYNMKNK2NTRK1
SCHEMBL17928565 0.65 ADK (0.44) PSMB5ADKFYNCSNK1DMAPK11
SCHEMBL544598 0.64 MAP4K4 (0.48) ACHEMKNK1MKNK2
SCHEMBL23580758 0.61 RPS6KA3 (0.49) LRRK2PSMB5ADKNOX1RPS6KA3

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
US-5576138-A MIXTURE OF RESIN, PHOTOSENSITIZER AND BENZOPHENONE COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 1996-11-19 — — US disclosed
Send feedback