SCHEMBL2803518

SCHEMBL2803518

O=c1[nH]c(-c2ccco2)nc2ccc(I)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
ALOX5 P09917 1/20 0.49
EPHX2 P34913 1/20 0.49
CHEK1 O14757 1/20 0.47
LIMK1 P53667 1/20 0.47
CDK5 Q00535 1/20 0.47

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
SCHEMBL259529 0.84 GUSB (0.50) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL11826963 0.81 TNKS (0.61) ALDH1A1MAPTHSD17B10PKMRAB9A
SCHEMBL259258 0.77 POLB (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4080440 0.73 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4085165 0.73 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2685097 0.73 GUSB (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2155020 0.70 METAP2 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6014177 0.70 TYMS (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10288872 0.70 TYMS (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2802463 0.69 PDE5A (0.44) ALDH1A1MAPTKMT2APOLBADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2241565-A1 Aurora kinase inhibitors compounds Universität Leipzig (DE) 2010-10-20 EP disclosed
EP-2241565-A1 Aurora kinase inhibitors compounds Universität Leipzig (DE) 2010-10-20 EP disclosed
WO-2010081881-A1 AURORA KINASE INHIBITORS COMPOUNDS. UNIVERSITÄT LEIPZIG (DE) 2010-07-22 WO disclosed
WO-2010081881-A1 AURORA KINASE INHIBITORS COMPOUNDS. UNIVERSITÄT LEIPZIG (DE) 2010-07-22 WO disclosed