SCHEMBL7054417

SCHEMBL7054417

CNC(=O)c1cc(-c2ccc(F)cc2)sc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.58
TUBB P07437 1/20 0.58
TUBA3C P0DPH7 1/20 0.58
TUBA1B P68363 1/20 0.58
TUBA4A P68366 1/20 0.58
TUBB4B P68371 1/20 0.58
TUBB3 Q13509 1/20 0.58
TUBB2A Q13885 1/20 0.58
TUBB8 Q3ZCM7 1/20 0.58
TUBA3E Q6PEY2 1/20 0.58
TUBA1A Q71U36 1/20 0.58
TUBA1C Q9BQE3 1/20 0.58
TUBB6 Q9BUF5 1/20 0.58
TUBB2B Q9BVA1 1/20 0.58
TUBB1 Q9H4B7 1/20 0.58
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL7057166 0.85 GAA (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5432647 0.82 MAPT (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1428039 0.81 IKBKB (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7057178 0.81 CHEK1 (0.76) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL7055932 0.79 CHEK1 (0.59) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL656187 0.76 MAPT (0.80) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5898657 0.72 IKBKB (0.76) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL28856797 0.72 IKBKB (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28203000 0.72 GAA (0.47) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL5728244 0.71 IKBKB (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003029241-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO disclosed