SCHEMBL20194196

SCHEMBL20194196

N=C/N=C(/Nc1cc(C(=N)N)cc(C(F)F)c1)c1[nH]ccc1CN1CCC(N)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.32
▸ F10 P00742 1/20 0.31
▸ HPN P05981 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ HGFAC Q04756 1/20 0.31
▸ ST14 Q9Y5Y6 1/20 0.31

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 0.88 PRSS1 (0.33) AAK1F10HPNPRSS1PRSS2
SCHEMBL20194179 0.86 F10 (0.44) AAK1F10HPNPRSS1PRSS2
SCHEMBL20194184 0.85 F2 (0.36) AAK1PRSS1PRSS2PRSS3ST14
SCHEMBL20194170 0.79 F10 (0.37) AAK1F10HPNPRSS1PRSS2
SCHEMBL20194187 0.77 CCR3 (0.34) AAK1F10HPNPRSS1PRSS2
SCHEMBL20194185 0.77 F10 (0.46) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20194162 0.77 F10 (0.34) AAK1F10HPNPRSS1PRSS2
SCHEMBL20194243 0.76 F10 (0.42) AAK1F10HPNPRSS1PRSS2
SCHEMBL20194154 0.76 AAK1 (0.46) AAK1
SCHEMBL20194195 0.76 F10 (0.36) AAK1F10HPNPRSS1PRSS2

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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