SCHEMBL5145980

SCHEMBL5145980

CN1CCN(CCc2cc(-c3nc(NCCN4C(=O)NC(C)(C)C4=O)ncc3Br)sc2Cc2ccc(F)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.34
PLA2G7 Q13093 1/20 0.33
HTR2A P28223 1/20 0.32
AXL P30530 4/20 0.31
IGF1R P08069 1/20 0.31
NTRK1 P04629 1/20 0.31
GRM2 Q14416 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CCNT1 O60563 2/20 0.30
CDK9 P50750 1/20 0.30
TNIK Q9UKE5 1/20 0.30

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
SCHEMBL5148389 0.94 CA1 (0.35) PLA2G7GRM2ALDH1A1CCNT1CDK9
SCHEMBL2975963 0.88 MAPK8 (0.34) MAPK8HTR2AAXLIGF1RNTRK1
SCHEMBL5147508 0.88 PLA2G7 (0.34) PLA2G7GRM2ALDH1A1
SCHEMBL5147520 0.85 PLA2G7 (0.35) PLA2G7GRM2ALDH1A1
SCHEMBL2981974 0.83 CDK1 (0.31) HTR2AAXL
SCHEMBL2980449 0.83 IKBKB (0.32) HTR2AAXLIGF1R
SCHEMBL2972072 0.82 CA1 (0.34) HTR2ACCNT1CDK9
SCHEMBL5166562 0.81
SCHEMBL27708089 0.81 HTR2A (0.32) HTR2A
SCHEMBL5147316 0.79 PLA2G7 (0.39) PLA2G7NTRK1GRM2ALDH1A1

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 claimed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO claimed