SCHEMBL20194184

SCHEMBL20194184

CC(C)Oc1cc(N/C(=N/C=N)c2[nH]ccc2CN2CCC(N)CC2)cc(C(=N)N)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 6/20 0.36
▸ PRSS1 P07477 6/20 0.36
▸ PLG P00747 4/20 0.36
▸ PLAU P00749 3/20 0.36
▸ PLAT P00750 3/20 0.36
▸ KLKB1 P03952 3/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ PRSS2 P07478 3/20 0.33
▸ PRSS3 P35030 3/20 0.33
▸ ST14 Q9Y5Y6 3/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TNIK Q9UKE5 1/20 0.30
▸ CXCR3 P49682 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
SCHEMBL20194237 0.86 PRSS1 (0.33) F2PRSS1PLGAAK1PRSS2
SCHEMBL20194196 0.85 AAK1 (0.32) PRSS1AAK1PRSS2PRSS3ST14
SCHEMBL20194179 0.84 F10 (0.44) F2PRSS1AAK1PRSS2PRSS3
SCHEMBL20194187 0.77 CCR3 (0.34) PRSS1AAK1PRSS2PRSS3ST14
SCHEMBL20194170 0.77 F10 (0.37) PRSS1AAK1PRSS2PRSS3ST14
SCHEMBL20194185 0.77 F10 (0.46) F2PRSS1PRSS2PRSS3ST14
SCHEMBL20194243 0.76 F10 (0.42) F2PRSS1AAK1PRSS2PRSS3
SCHEMBL20194162 0.75 F10 (0.34) PRSS1AAK1PRSS2PRSS3ST14
SCHEMBL20194226 0.75 AAK1 (0.33) PRSS1AAK1PRSS2PRSS3ST14
SCHEMBL20194180 0.74 F10 (0.35) PRSS1AAK1PRSS2PRSS3ST14

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
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