SCHEMBL14430274

SCHEMBL14430274

CC(=N)c1cccc(N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.63
▸ PLG P00747 1/20 0.63
▸ PRSS1 P07477 1/20 0.63
▸ PRSS2 P07478 1/20 0.63
▸ PRSS3 P35030 1/20 0.63
▸ PBRM1 Q86U86 1/20 0.50
▸ CYP3A4 P08684 2/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ RAB9A P51151 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ NOS1 P29475 3/20 0.45
▸ ALDH1A1 P00352 7/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL25744914 0.81 PRSS1 (0.68) F2PLGPRSS1PRSS2PRSS3
SCHEMBL231914 0.79 PRSS1 (0.95) F2PLGPRSS1PRSS2PRSS3
SCHEMBL20194122 0.78 F2 (0.53) F2PLGPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL616601 0.77 PRSS1 (1.00) F2PLGPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL5899967 0.77 PRSS1 (1.00) F2PLGPRSS1PRSS2PRSS3
SCHEMBL330495 0.77 PBRM1 (0.61) F2PLGPRSS1PRSS2PRSS3
SCHEMBL29841359 0.77 PBRM1 (0.61) F2PLGPRSS1PRSS2PRSS3
SCHEMBL771139 0.77 F2 (0.52) F2PLGPRSS1PRSS2PRSS3
SCHEMBL23268280 0.76 PRSS1 (0.54) PRSS1PRSS2PRSS3GAALMNA
Hydrochloric Acid SCHEMBL4369239 0.76 PBRM1 (0.59) F2PLGPRSS1PRSS2PRSS3

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
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 — — WO disclosed
EP-1294714-B1 THROMBIN RECEPTOR ANTAGONISTS SCHERING CORP (US) 2007-08-01 — — EP disclosed
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