SCHEMBL5147485

SCHEMBL5147485

COc1cccc(-c2cnc(NCCN3C(=O)NC(C)(C)C3=O)nc2-c2ccc(S(=O)(=O)c3ccccc3)s2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.39
BRAF P15056 11/20 0.39
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK14 Q16539 3/20 0.35
RAD52 P43351 1/20 0.35
NAMPT P43490 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ERN1 O75460 1/20 0.35
ABL1 P00519 1/20 0.35
FGFR1 P11362 1/20 0.35
FLT3 P36888 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK11 Q15759 1/20 0.35
NTRK2 Q16620 1/20 0.35

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
SCHEMBL2976262 0.88 RAF1 (0.37) RAF1BRAFLMNATSHRTP53
SCHEMBL5145972 0.84 RAF1 (0.39) RAF1BRAFMAPK14ERN1ABL1
SCHEMBL5145833 0.82 ALDH1A1 (0.43) LMNATSHRMAPK1HTTTP53
SCHEMBL5149053 0.78 ALDH1A1 (0.41) LMNATSHRMAPK1HTTTP53
SCHEMBL2987614 0.78 ADORA1 (0.36) RAF1BRAFMAPK14RAD52ADORA1
SCHEMBL5183961 0.78 BRAF (0.34) RAF1BRAFMAPK14NAMPTERN1
SCHEMBL5147280 0.78 BRAF (0.37) RAF1BRAFLMNATSHRMAPK1
SCHEMBL5147429 0.76 ADORA1 (0.37) BRAFLMNATSHRMAPK1HTT
SCHEMBL5147484 0.76 SMN1; SMN2 (0.37) LMNAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL5149061 0.76 PLA2G7 (0.38) NAMPTALDH1A1

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-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO disclosed