SCHEMBL5148970

SCHEMBL5148970

CN(c1ccccc1)c1ncc(-c2nc(NCCN3C(=O)NC(C)(C)C3=O)ncc2F)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
PLA2G7 Q13093 1/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 2/20 0.31
GAA P10253 1/20 0.31
CCNT1 O60563 1/20 0.30
CDK4 P11802 1/20 0.30
CCNA2 P20248 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 1/20 0.30
CCND3 P30281 1/20 0.30
CDK9 P50750 1/20 0.30
CDK6 Q00534 1/20 0.30
HTR1D P28221 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5147401 0.93 PLA2G7 (0.39) ALDH1A1PLA2G7LMNATSHRKDM4E
SCHEMBL5146036 0.90 HTT (0.35) ALDH1A1LMNAHTTTSHRMAPK1
SCHEMBL2983807 0.86
SCHEMBL5147424 0.81 PLA2G7 (0.35) ALDH1A1PLA2G7
SCHEMBL2977483 0.79 MEN1 (0.31) ALDH1A1LMNATSHR
SCHEMBL5181907 0.78 PLA2G7 (0.42) ALDH1A1PLA2G7SMN1; SMN2CCNT1CDK4
SCHEMBL28770420 0.77 USP30 (0.30)
SCHEMBL2976404 0.76
SCHEMBL2975337 0.76 CDK1 (0.30)
SCHEMBL5147391 0.76 PLA2G7 (0.38) ALDH1A1PLA2G7LMNAHTTTSHR

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