SCHEMBL14097490

SCHEMBL14097490

CCOC(=O)Nc1nc2cc(-c3cnc(N[C@@H](COC(C)(C)C)C(=O)OC(C)(C)C)nc3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.36
▸ TUBB4A P04350 5/20 0.35
▸ TUBB P07437 5/20 0.35
▸ TUBA3C P0DPH7 5/20 0.35
▸ TUBA1B P68363 5/20 0.35
▸ TUBA4A P68366 5/20 0.35
▸ TUBB4B P68371 5/20 0.35
▸ TUBB3 Q13509 5/20 0.35
▸ TUBB2A Q13885 5/20 0.35
▸ TUBB8 Q3ZCM7 5/20 0.35
▸ TUBA3E Q6PEY2 5/20 0.35
▸ TUBA1A Q71U36 5/20 0.35
▸ TUBA1C Q9BQE3 5/20 0.35
▸ TUBB6 Q9BUF5 5/20 0.35
▸ TUBB2B Q9BVA1 5/20 0.35
▸ TUBB1 Q9H4B7 5/20 0.35
▸ ABL1 P00519 6/20 0.35
▸ BCHE P06276 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL14138240 1.00 LCK (0.36) LCKTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14097407 0.89 ABL1 (0.47) ABL1
SCHEMBL14138155 0.89 ABL1 (0.47) ABL1
SCHEMBL14097411 0.87 BCHE (0.34) ABL1BCHEAAK1TBK1
SCHEMBL14138220 0.85 LIPG (0.34) AAK1
SCHEMBL14138378 0.85 LIPG (0.34) AAK1
SCHEMBL14137985 0.83 ABL1 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14097495 0.83 ABL1 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14097751 0.82 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14097460 0.81 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-7414046-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-19 — — US disclosed
US-RE40245-E1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 — — US disclosed
Send feedback