SCHEMBL20194145

SCHEMBL20194145

N=C(N)c1cc(N)cc(CO)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.55
PRSS3 P35030 8/20 0.55
PRSS2 P07478 7/20 0.55
C1S P09871 1/20 0.50
F2 P00734 4/20 0.44
PLG P00747 2/20 0.44
PLAU P00749 3/20 0.41
MASP2 O00187 1/20 0.41
THPO P40225 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
APEX1 P27695 1/20 0.40
ST14 Q9Y5Y6 1/20 0.39
F10 P00742 1/20 0.38
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36
ACHE P22303 1/20 0.34
KLK1 P06870 1/20 0.34

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
SCHEMBL11329583 0.79 PRSS1 (0.59) PRSS1PRSS3PRSS2C1SF2
SCHEMBL1172633 0.79 TSHR (0.39) PRSS1PRSS3PRSS2ACHE
SCHEMBL1172624 0.77 ACHE (0.48) PRSS1PRSS3PRSS2ACHE
SCHEMBL205947 0.77 ACHE (0.48) PRSS1PRSS3PRSS2ACHE
SCHEMBL7589533 0.75 TPMT (0.46) ACHE
Hydrochloric Acid SCHEMBL205946 0.74 ACHE (0.46) PRSS1PRSS3PRSS2ACHE
Hydrochloric Acid SCHEMBL7596506 0.73 TPMT (0.45) APEX1ACHE
SCHEMBL20194148 0.71 PRSS1 (0.50) PRSS1PRSS3PRSS2C1SF2
SCHEMBL8542393 0.71 PRSS1 (1.00) PRSS1PRSS3PRSS2C1SF2
SCHEMBL3600242 0.69 SLC7A5 (0.48) LOXL2

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
EP-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP disclosed