SCHEMBL5331734

SCHEMBL5331734

COC(=O)c1cc(N(C)c2ccc3nc(N)sc3n2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
PKM P14618 2/20 0.41
RCE1 Q9Y256 1/20 0.41
BRAF P15056 3/20 0.39
KDR P35968 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37

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
SCHEMBL5312683 0.77 LCK (0.39) BRAFKDRALDH1A1NQO2IKBKB
SCHEMBL5309824 0.77 TSHR (0.39) KDM4EBRAFKDRALDH1A1SMN1; SMN2
SCHEMBL5316068 0.75 BRAF (0.43) BRAFKDRALDH1A1CYP3A4CYP2C9
SCHEMBL12482906 0.74 TUBB4A (0.44) KDM4EKDRALDH1A1TUBB4ATUBB
SCHEMBL15514643 0.74 TUBB4A (0.46) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL15515591 0.73 RXRA (0.47) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL5312770 0.72 MAPT (0.40) KDM4EALDH1A1SMN1; SMN2GAALMNA
SCHEMBL12483800 0.72 TUBB4A (0.44) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL12482909 0.71 SMN1; SMN2 (0.45) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL15514326 0.71 TUBB4A (0.43) KDM4EALDH1A1TUBB4ATUBBTUBA3C

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-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed