SCHEMBL73153

SCHEMBL73153

COc1ccc(Nc2cccc(-c3cnc4ccccn34)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.58
CDK1 P06493 1/20 0.58
CDK4 P11802 1/20 0.58
PIK3CA P42336 1/20 0.54
TUBB4A P04350 4/20 0.51
TUBB P07437 4/20 0.51
TUBA3C P0DPH7 4/20 0.51
TUBA1B P68363 4/20 0.51
TUBA4A P68366 4/20 0.51
TUBB4B P68371 4/20 0.51
TUBB3 Q13509 4/20 0.51
TUBB2A Q13885 4/20 0.51
TUBB8 Q3ZCM7 4/20 0.51
TUBA3E Q6PEY2 4/20 0.51
TUBA1A Q71U36 4/20 0.51
TUBA1C Q9BQE3 4/20 0.51
TUBB6 Q9BUF5 4/20 0.51
TUBB2B Q9BVA1 4/20 0.51
TUBB1 Q9H4B7 4/20 0.51
IRAK4 Q9NWZ3 1/20 0.49

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
SCHEMBL72363 0.88 IRAK4 (0.61) CDK2CDK1CDK4PIK3CAIRAK4
SCHEMBL15757448 0.81 FLT3 (0.65) PIK3CATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL74774 0.80 CDK2 (0.53) CDK2CDK1CDK4PIK3CAIRAK4
SCHEMBL72956 0.79 CDK2 (0.60) CDK2CDK1CDK4PIK3CAIRAK4
SCHEMBL73232 0.77 CDK2 (0.52) CDK2CDK1CDK4PIK3CAIRAK4
SCHEMBL73280 0.76 PIK3CA (0.50) PIK3CAMIFKDRFLT3PKM
SCHEMBL12848505 0.75 PIK3CA (0.65) PIK3CATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL71795 0.75 IRAK4 (0.53) CDK2CDK1CDK4PIK3CAIRAK4
SCHEMBL1684661 0.75 CDK2 (0.67) CDK2CDK1CDK4PIK3CATUBB4A
SCHEMBL72789 0.75 FYN (0.63) CDK2KDRFGFR3

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-8131527-B1 FGFR pharmacophore compounds ASTEX THERAPEUTICS LTD. (GB) 2012-03-06 US disclosed
US-8131527-B1 FGFR pharmacophore compounds ASTEX THERAPEUTICS LTD. (GB) 2012-03-06 US disclosed