SCHEMBL5339243

SCHEMBL5339243

c1cc2[nH]ncc2cc1Nc1ncc(-c2ccc3c(c2)OCCO3)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.56
KDR P35968 3/20 0.49
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 2/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
PIK3CA P42336 2/20 0.41

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
SCHEMBL14465943 0.97 SYK (0.53) SYKKDRROCK2ROCK1TUBB4A
SCHEMBL5333745 0.96 SYK (0.52) SYKKDRROCK2ROCK1TUBB4A
SCHEMBL5337884 0.94 SYK (0.48) SYKKDRROCK2ROCK1PIK3CA
SCHEMBL5334521 0.89 SYK (0.46) SYKKDRROCK2ROCK1PIK3CA
SCHEMBL5319685 0.81 IMPDH2 (0.54) KDRROCK2ROCK1PIK3CAMKNK1
SCHEMBL5340647 0.81 KDR (0.54) KDRROCK2ROCK1MKNK1IMPDH2
SCHEMBL5339924 0.81 MKNK1 (0.57) KDRROCK2ROCK1PIK3CAMKNK1
SCHEMBL5336680 0.81 IMPDH2 (0.59) KDRROCK1PIK3CAIMPDH2FLT1
SCHEMBL5336433 0.81 MKNK1 (0.51) KDRROCK2ROCK1MKNK1IMPDH2
SCHEMBL5335613 0.81 CDC7 (0.58) KDRROCK2ROCK1MKNK1IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO claimed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed