SCHEMBL20194162

SCHEMBL20194162

N=C/N=C(/Nc1cccc(C(=N)SC(=N)C2CC2)c1)c1[nH]ccc1CN1CCC(N)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.34
▸ HPN P05981 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ HGFAC Q04756 1/20 0.34
▸ ST14 Q9Y5Y6 1/20 0.34
▸ AAK1 Q2M2I8 4/20 0.33
▸ EGFR P00533 5/20 0.32
▸ ERBB2 P04626 5/20 0.32
▸ CCR3 P51677 2/20 0.31
▸ SMYD3 Q9H7B4 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
SCHEMBL20194212 0.93 — —
SCHEMBL20194187 0.91 CCR3 (0.34) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20194228 0.91 F10 (0.34) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20194179 0.88 F10 (0.44) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20194226 0.88 AAK1 (0.33) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20194213 0.87 AAK1 (0.31) AAK1
SCHEMBL20194195 0.86 F10 (0.36) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20194170 0.85 F10 (0.37) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20194205 0.83 — —
SCHEMBL20194230 0.82 ACKR3 (0.38) —

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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