SCHEMBL20224327

SCHEMBL20224327

c1ccc(-c2nc(-c3ccc(-c4cccnc4)nc3)cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3c4sc4ccccc43)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.34
CYP19A1 P11511 1/20 0.32
DHODH Q02127 1/20 0.32
GBA1 P04062 1/20 0.31
HPGDS O60760 2/20 0.31
LIMK1 P53667 1/20 0.31
PDE10A Q9Y233 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL20224324 0.98 PDK2 (0.34) PDK2CYP19A1DHODHGBA1LIMK1
SCHEMBL20224330 0.97 PDK2 (0.34) PDK2CYP19A1DHODHGBA1LIMK1
SCHEMBL20224319 0.96 PDK2 (0.36) PDK2CYP19A1DHODHGBA1LIMK1
SCHEMBL20224322 0.93 PDK2 (0.37) PDK2CYP19A1DHODHGBA1LIMK1
SCHEMBL20224320 0.93 PDK2 (0.37) PDK2CYP19A1DHODHGBA1LIMK1
SCHEMBL20224328 0.93 PDK2 (0.36) PDK2CYP19A1DHODHGBA1LIMK1
SCHEMBL20224276 0.92 PDK2 (0.41) PDK2LIMK1
SCHEMBL19862207 0.91 PDK2 (0.33) PDK2CYP19A1DHODH
SCHEMBL20224323 0.90 PDK2 (0.38) PDK2CYP19A1DHODHGBA1LIMK1
SCHEMBL20224318 0.89 PDK2 (0.38) PDK2CYP19A1DHODHGBA1LIMK1

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
US-20180159044-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
US-20180159044-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed