SCHEMBL20194228

SCHEMBL20194228

CNC1CCN(Cc2cc[nH]c2/C(=N\C=N)Nc2cccc(C(=N)SC(=N)C3CC3)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

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
▸ AKT1 P31749 3/20 0.33
▸ CCR3 P51677 4/20 0.32
▸ CXCR3 P49682 3/20 0.32
▸ DCUN1D1 Q96GG9 2/20 0.31
▸ AAK1 Q2M2I8 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ UBE2M P61081 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CDK14 O94921 1/20 0.30
▸ CCNY Q8ND76 1/20 0.30
▸ ACKR3 P25106 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
SCHEMBL20194162 0.91 F10 (0.34) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20194185 0.88 F10 (0.46) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20194212 0.87 — —
SCHEMBL20194213 0.85 AAK1 (0.31) AAK1
SCHEMBL20194187 0.83 CCR3 (0.34) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20194167 0.83 F10 (0.37) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20194193 0.83 F10 (0.36) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20194226 0.81 AAK1 (0.33) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20194179 0.79 F10 (0.44) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20194205 0.79 — —

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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