SCHEMBL16016157

SCHEMBL16016157

N=NC(=N)c1cccc(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.59
▸ PLG P00747 1/20 0.59
▸ PRSS1 P07477 1/20 0.59
▸ PRSS2 P07478 1/20 0.59
▸ PRSS3 P35030 1/20 0.59
▸ PBRM1 Q86U86 1/20 0.47
▸ CYP3A4 P08684 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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 0.78 PRSS1 (0.68) F2PLGPRSS1PRSS2PRSS3
SCHEMBL231914 0.76 PRSS1 (0.95) F2PLGPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL5899967 0.74 PRSS1 (1.00) F2PLGPRSS1PRSS2PRSS3
SCHEMBL14430274 0.74 F2 (0.63) F2PLGPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL616601 0.74 PRSS1 (1.00) F2PLGPRSS1PRSS2PRSS3
SCHEMBL25011767 0.73 F2 (0.47) F2PLGPRSS1PRSS2PRSS3
SCHEMBL13450852 0.73 PRSS1 (0.47) F2PLGPRSS1PRSS2PRSS3
SCHEMBL18977521 0.73 F2 (0.47) F2PLGPRSS1PRSS2PRSS3
SCHEMBL280430 0.72 F2 (0.48) F2PRSS1PRSS2PRSS3CYP3A4
SCHEMBL20114737 0.72 F2 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 — — EP disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 — — EP disclosed
EP-1809601-B1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2014-09-10 — — EP disclosed
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