SCHEMBL73232

SCHEMBL73232

O=C1C=C(Nc2cccc(-c3cnc4ccccn34)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.52
CDK1 P06493 1/20 0.52
CDK4 P11802 1/20 0.52
MIF P14174 1/20 0.45
IRAK4 Q9NWZ3 2/20 0.45
FLT3 P36888 1/20 0.42
PKM P14618 2/20 0.42
FGFR3 P22607 6/20 0.42
KDR P35968 6/20 0.42
PIK3CA P42336 2/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
KIT P10721 1/20 0.39
SIK2 Q9H0K1 1/20 0.38

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 0.81 IRAK4 (0.61) CDK2CDK1CDK4MIFIRAK4
SCHEMBL72956 0.77 CDK2 (0.60) CDK2CDK1CDK4MIFIRAK4
SCHEMBL73153 0.77 CDK2 (0.58) CDK2CDK1CDK4MIFIRAK4
SCHEMBL74774 0.75 CDK2 (0.53) CDK2CDK1CDK4MIFIRAK4
SCHEMBL71795 0.74 IRAK4 (0.53) CDK2CDK1CDK4MIFIRAK4
SCHEMBL72789 0.73 FYN (0.63) CDK2FGFR3KDR
SCHEMBL73095 0.73 PKM (0.53) CDK2CDK1CDK4MIFIRAK4
SCHEMBL73961 0.73 IRAK4 (0.52) CDK2CDK1CDK4MIFIRAK4
SCHEMBL73956 0.73 CDK2 (0.48) CDK2CDK1CDK4MIFIRAK4
SCHEMBL73262 0.72 FGFR3 (0.53) CDK2CDK1CDK4MIFIRAK4

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