SCHEMBL5147280

SCHEMBL5147280

COc1ccc2sc(-c3nc(NCCN4C(=O)NC(C)(C)C4=O)ncc3-c3cccc(N)c3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.37
RAF1 P04049 3/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CDK5 Q00535 1/20 0.34
KMT2A Q03164 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CLK1 P49759 1/20 0.34
ABL1 P00519 1/20 0.34
CACNA2D1 P54289 1/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KIT P10721 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CCNA2 P20248 1/20 0.32

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
SCHEMBL2972171 0.88 BRAF (0.35) BRAFRAF1MEN1KMT2ACLK1
SCHEMBL5148335 0.84 PDE3B (0.36) NPC1RAB9AKMT2AMAPK1ALDH1A1
SCHEMBL5147429 0.83 ADORA1 (0.37) BRAFMEN1NPC1KMT2AABL1
SCHEMBL5147311 0.82 LMNA (0.37) KMT2ACLK1MAPK1ALDH1A1LMNA
SCHEMBL5145850 0.81 HSD17B1 (0.38) BRAFRAF1ABL1MAPK1ALDH1A1
SCHEMBL5147313 0.79 ALDH1A1 (0.35) NPC1RAB9AABL1MAPK1ALDH1A1
SCHEMBL2975277 0.79 KDR (0.38) BRAFRAF1CLK1CACNA2D1ADORA1
SCHEMBL5149101 0.79 RAF1 (0.37) BRAFRAF1ABL1ADORA2AADORA1
SCHEMBL5147498 0.79 ALDH1A1 (0.36) NPC1RAB9AMAPK1ALDH1A1LMNA
SCHEMBL5179687 0.78 ADORA1 (0.37) CLK1ALDH1A1ADORA2AADORA1CDK2

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