SCHEMBL20194187

SCHEMBL20194187

CC(=N)SC(=N)c1cccc(N/C(=N/C=N)c2[nH]ccc2CN2CCC(N)CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 7/20 0.34
▸ AAK1 Q2M2I8 6/20 0.34
▸ 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
▸ EGFR P00533 3/20 0.33
▸ ERBB2 P04626 2/20 0.33
▸ BRAF P15056 1/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.32
▸ CXCR3 P49682 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
SCHEMBL20194205 0.92 — —
SCHEMBL20194162 0.91 F10 (0.34) CCR3AAK1F10HPNPRSS1
SCHEMBL20194226 0.91 AAK1 (0.33) CCR3AAK1F10HPNPRSS1
SCHEMBL20194179 0.89 F10 (0.44) CCR3AAK1F10HPNPRSS1
SCHEMBL20194172 0.85 AAK1 (0.30) CCR3AAK1
SCHEMBL20194170 0.85 F10 (0.37) CCR3AAK1F10HPNPRSS1
SCHEMBL20194212 0.84 — —
SCHEMBL20194180 0.84 F10 (0.35) CCR3AAK1F10HPNPRSS1
SCHEMBL20194228 0.83 F10 (0.34) CCR3AAK1F10HPNPRSS1
SCHEMBL20194195 0.83 F10 (0.36) CCR3AAK1F10HPNPRSS1

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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