SCHEMBL5148346

SCHEMBL5148346

CC1(C)NC(=O)N(CCNc2ncc(Br)c(-c3cnc(Nc4ccc(F)cc4)s3)n2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.41
ALDH1A1 P00352 4/20 0.36
CDK2 P24941 3/20 0.33
CCNT1 O60563 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
CCNA1 P78396 1/20 0.33
FPR2 P25090 1/20 0.32
EGFR P00533 3/20 0.32
HTT P42858 1/20 0.32
CDK4 P11802 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCND1 P24385 1/20 0.31
CCND2 P30279 1/20 0.31
CCND3 P30281 1/20 0.31

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
SCHEMBL5181907 0.92 PLA2G7 (0.42) PLA2G7ALDH1A1CDK2CCNT1CDK1
SCHEMBL2981463 0.86 JAK2 (0.33) ALDH1A1CDK1EGFRCDK4CCND1
SCHEMBL5148399 0.85 PLA2G7 (0.39) PLA2G7ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL5149061 0.81 PLA2G7 (0.38) PLA2G7ALDH1A1
SCHEMBL5146079 0.79 ALDH1A1 (0.38) PLA2G7ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL5147316 0.79 PLA2G7 (0.39) PLA2G7ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5147508 0.78 PLA2G7 (0.34) PLA2G7ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL5179917 0.77 ALDH1A1 (0.40) PLA2G7ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL2980191 0.77 JAK2 (0.33) ALDH1A1CDK2CCNT1CDK1CCNB1
SCHEMBL5147417 0.77 ALDH1A1 (0.38) ALDH1A1FPR2HTTMAPTSMN1; SMN2

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