SCHEMBL29592014

SCHEMBL29592014

Nc1ncnc2c1c(C#CCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@@H]31)cn2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLCD1 P51178 1/20 0.44
HLCS P50747 3/20 0.44
HINT1 P49773 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TPSAB1 Q15661 1/20 0.39
CAPN1 P07384 2/20 0.39
BTK Q06187 1/20 0.39
PRKAA2 P54646 1/20 0.38

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
SCHEMBL19982838 0.91 HLCS (0.49) PLCD1HLCSHINT1F2
SCHEMBL30763662 0.90 PLCD1 (0.44) PLCD1HLCSTDP1F2PRSS1
SCHEMBL23346420 0.88 KDM4E (0.37) PLCD1HLCSBTKPRKAA2
SCHEMBL22192980 0.88 HLCS (0.46) PLCD1HLCSHINT1TDP1F2
SCHEMBL30479095 0.87 PLCD1 (0.47) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL14009653 0.86 PRKACA (0.39)
SCHEMBL22897369 0.83 HLCS (0.47) PLCD1HLCSHINT1F2
SCHEMBL19983263 0.82 PLCD1 (0.43) PLCD1HLCSTDP1F2PRSS1
SCHEMBL20129500 0.81 F2 (0.47) PLCD1HLCSTDP1F2
SCHEMBL20126980 0.81 F2 (0.47) PLCD1HLCSTDP1F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225941-A1 IMPROVEMENTS TO REACTIONS WITH NON-RETROVIRAL REVERSE TRANSCRIPTASE The Regents of the University of California (US) 2023-08-16 EP disclosed
WO-2022076759-A1 IMPROVEMENTS TO REACTIONS WITH NON-RETROVIRAL REVERSE TRANSCRIPTASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-14 WO disclosed