SCHEMBL20194179

SCHEMBL20194179

N=C/N=C(/Nc1cccc(C(=N)N)c1)c1[nH]ccc1CN1CCC(N)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 9/20 0.44
▸ PRSS1 P07477 6/20 0.44
▸ HPN P05981 4/20 0.44
▸ PRSS2 P07478 4/20 0.44
▸ PRSS3 P35030 4/20 0.44
▸ ST14 Q9Y5Y6 4/20 0.44
▸ HGFAC Q04756 3/20 0.44
▸ CCR3 P51677 4/20 0.34
▸ AAK1 Q2M2I8 2/20 0.33
▸ F2 P00734 6/20 0.33
▸ EGFR P00533 3/20 0.33
▸ ERBB2 P04626 2/20 0.33
▸ BRAF P15056 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL20194185 0.91 F10 (0.46) F10PRSS1HPNPRSS2PRSS3
SCHEMBL20194170 0.91 F10 (0.37) F10PRSS1HPNPRSS2PRSS3
SCHEMBL20194243 0.90 F10 (0.42) F10PRSS1HPNPRSS2PRSS3
SCHEMBL20194187 0.89 CCR3 (0.34) F10PRSS1HPNPRSS2PRSS3
SCHEMBL20194237 0.89 PRSS1 (0.33) F10PRSS1HPNPRSS2PRSS3
SCHEMBL20194162 0.88 F10 (0.34) F10PRSS1HPNPRSS2PRSS3
SCHEMBL20194195 0.87 F10 (0.36) F10PRSS1HPNPRSS2PRSS3
SCHEMBL20194226 0.86 AAK1 (0.33) F10PRSS1HPNPRSS2PRSS3
SCHEMBL20194154 0.86 AAK1 (0.46) AAK1EGFRERBB2
SCHEMBL20194196 0.86 AAK1 (0.32) F10PRSS1HPNPRSS2PRSS3

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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