SCHEMBL14116389

SCHEMBL14116389

Cc1cc(-c2nn[nH]n2)cnc1C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.49
▸ HPGDS O60760 1/20 0.49
▸ SLC22A12 Q96S37 4/20 0.47
▸ ADH5 P11766 2/20 0.47
▸ RAF1 P04049 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TP53 P04637 1/20 0.42

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
SCHEMBL17678908 0.83 PTK2 (0.46) PTK2HPGDSSLC22A12ADH5RAF1
SCHEMBL18470671 0.77 XDH (0.50) PTK2HPGDSSLC22A12ADH5
SCHEMBL21941742 0.74 ADH5 (0.61) SLC22A12ADH5ALDH1A1GAATP53
SCHEMBL3584374 0.73 ADH5 (0.59) HPGDSADH5ALDH1A1TP53
SCHEMBL12457517 0.73 PTK2 (0.64) PTK2ADH5RAF1ALDH1A1HCAR2
SCHEMBL1458943 0.70 ATM (0.58) PTK2ADH5ALDH1A1TP53
SCHEMBL21941743 0.70 NOTUM (0.60) ADH5ALDH1A1TP53
SCHEMBL14092293 0.70 TP53 (0.49) PTK2HPGDSADH5ALDH1A1HCAR2
SCHEMBL17670047 0.69 MAP4K4 (0.51) PTK2HPGDSADH5ALDH1A1
SCHEMBL21941741 0.68 ALDH1A1 (0.79) SLC22A12ADH5ALDH1A1TP53

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-7414055-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2008-08-19 — — US disclosed
Send feedback