SCHEMBL7037693

SCHEMBL7037693

CCC(C)(O)C#Cc1ccc(=O)n(C(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 10/20 0.35
CDK1 P06493 10/20 0.35
CCNB1 P14635 10/20 0.35
CCNB3 Q8WWL7 10/20 0.35
CDK5 Q00535 9/20 0.35
FLT4 P35916 3/20 0.35
TTBK1 Q5TCY1 7/20 0.34
TTBK2 Q6IQ55 4/20 0.34
MAP3K14 Q99558 3/20 0.34
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL7036895 0.88 FLT4 (0.31) FLT4
SCHEMBL7038464 0.74 BMPR1B (0.30)
SCHEMBL7039195 0.67 FLT4 (0.40) CDK1CCNB1FLT4MAP3K14
SCHEMBL6133993 0.66 FFAR1 (0.36)
SCHEMBL7038833 0.65 HPGD (0.34) FLT4
SCHEMBL23370058 0.65 POLB (0.36)
SCHEMBL6985198 0.64 HSD11B1 (0.37)
SCHEMBL6134011 0.64 POLB (0.35)
SCHEMBL7036150 0.62 HRH3 (0.32)
SCHEMBL8004896 0.62 EDNRB (0.37)

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-2003004494-A1 PYRIDAZINONE COMPOUND AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-16 WO disclosed