SCHEMBL20405391

SCHEMBL20405391

N=C(/N=C(\N)c1ccccc1-c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 16/20 0.36
▸ CHEK1 O14757 1/20 0.33
▸ BCAT2 O15382 1/20 0.32
▸ PRSS1 P07477 2/20 0.31
▸ PRSS2 P07478 2/20 0.31
▸ PRSS3 P35030 2/20 0.31
▸ F10 P00742 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
SCHEMBL20405505 0.84 PDK2 (0.32) PDK2
SCHEMBL20404836 0.82 PDK2 (0.33) PDK2
SCHEMBL24742667 0.82 PDK2 (0.44) PDK2PRSS1PRSS2PRSS3
SCHEMBL17233969 0.82 PDK2 (0.38) PDK2PRSS1PRSS2PRSS3F10
SCHEMBL24689617 0.81 BCAT2 (0.49) BCAT2PRSS1PRSS2PRSS3F10
SCHEMBL20407191 0.78 KDM4E (0.32) PDK2
SCHEMBL23654272 0.77 PDK2 (0.33) PDK2
SCHEMBL21937294 0.77 PRSS1 (0.36) PDK2PRSS1PRSS2PRSS3F10
SCHEMBL20407224 0.76 — —
SCHEMBL20407094 0.76 PRSS1 (0.38) BCAT2PRSS1PRSS2PRSS3F10

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-3351536-A1 ORGANIC LIGHT-EMITTING DEVICE LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
Send feedback