SCHEMBL2632825

SCHEMBL2632825

CCn1c(=O)c(-c2ccccc2)cc2c(C)nc(Nc3ccc(OCCNCCO)cc3)nc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 5/20 0.56
ACVR1 Q04771 5/20 0.56
NOD2 Q9HC29 5/20 0.56
BTK Q06187 5/20 0.47
SRC P12931 5/20 0.47
FGFR1 P11362 3/20 0.43
EGFR P00533 1/20 0.40
LYN P07948 3/20 0.40
PIK3CA P42336 2/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40

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
SCHEMBL188755 0.86 RIPK2 (0.76) RIPK2ACVR1NOD2BTKSRC
SCHEMBL189165 0.84 FGFR1 (0.51) RIPK2ACVR1NOD2BTKSRC
SCHEMBL189162 0.84 RIPK2 (0.55) RIPK2ACVR1NOD2BTKSRC
SCHEMBL189950 0.83 RIPK2 (0.49) RIPK2ACVR1NOD2BTKFGFR1
SCHEMBL188862 0.82 ACVR1 (0.53) RIPK2ACVR1NOD2BTKSRC
SCHEMBL188843 0.76 PTK2 (0.50) RIPK2ACVR1NOD2BTKSRC
SCHEMBL189326 0.75 ALDH1A1 (0.65) RIPK2ACVR1NOD2BTKPIK3CA
SCHEMBL14040742 0.74 RIPK2 (0.79) RIPK2ACVR1NOD2BTKSRC
SCHEMBL188797 0.73 ALDH1A1 (0.63) RIPK2ACVR1NOD2PIK3CA
SCHEMBL189082 0.73 ALDH1A1 (0.57) RIPK2ACVR1NOD2BTKSRC

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
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP disclosed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP disclosed