SCHEMBL16570644

SCHEMBL16570644

CC1CN(c2ccc(Nc3ncc4cnn(S(=O)(=O)c5ccccc5F)c4n3)cc2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 2/20 0.45
CDK4 P11802 10/20 0.43
CCND1 P24385 8/20 0.43
FGFR4 P22455 7/20 0.43
CDK2 P24941 6/20 0.43
CCNA2 P20248 4/20 0.43
FGFR1 P11362 3/20 0.43
FGFR2 P21802 3/20 0.43
FGFR3 P22607 3/20 0.43
JAK2 O60674 2/20 0.43
BRD4 O60885 2/20 0.43
CDK6 Q00534 1/20 0.43
CCND2 P30279 2/20 0.42
CCND3 P30281 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CCNA1 P78396 1/20 0.42

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
SCHEMBL16570741 1.00 WEE1 (0.45) WEE1CDK4CCND1FGFR4CDK2
SCHEMBL16570641 1.00 WEE1 (0.45) WEE1CDK4CCND1FGFR4CDK2
SCHEMBL16571009 0.90 FGFR4 (0.55) WEE1CDK4CCND1FGFR4CDK2
SCHEMBL16570933 0.90 FGFR4 (0.55) WEE1CDK4CCND1FGFR4CDK2
SCHEMBL16570934 0.90 FGFR4 (0.55) WEE1CDK4CCND1FGFR4CDK2
SCHEMBL17958755 0.88 WEE1 (0.44) WEE1CDK4CCND1FGFR4CDK2
SCHEMBL16580980 0.88 WEE1 (0.44) WEE1CDK4CCND1FGFR4CDK2
SCHEMBL16580737 0.88 WEE1 (0.44) WEE1CDK4CCND1FGFR4CDK2
SCHEMBL16570820 0.86 WEE1 (0.47) WEE1CDK4CCND1FGFR4CDK2
SCHEMBL16580846 0.86 WEE1 (0.47) WEE1CDK4CCND1FGFR4CDK2

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-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US claimed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN WEE1 1512/4885CDK4 243/4885CCND1 1029/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.