SCHEMBL7075962

SCHEMBL7075962

CC(C)(C)OC(=O)N1CCc2[nH]c3cccc(Br)c3c2CC1.COc1ccccc1-c1cccc2[nH]c3c(c12)CCN(C(=O)c1ccccc1)CC3

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.47
CCND1 P24385 6/20 0.47
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
F12 P00748 3/20 0.37
PARP1 P09874 2/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
BTK Q06187 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL6480610 0.87 CDK4 (0.58) CDK4CCND1LMNAMAPTGAA
SCHEMBL7072797 0.84 PARP1 (0.41) CDK4CCND1LMNAMAPTF12
SCHEMBL6475935 0.84 PARP1 (0.43) LMNAMAPTF12PARP1TNKS2
SCHEMBL6473473 0.81 LMNA (0.44) CDK4CCND1LMNAMAPTTRPV1
SCHEMBL6481176 0.78 PARP1 (0.45) CDK4CCND1LMNAMAPTF12
SCHEMBL6474485 0.78 CDK4 (0.45) CDK4CCND1LMNAMAPTKMT2A
SCHEMBL6481844 0.78 MGLL (0.45) CDK4CCND1
SCHEMBL25425099 0.75 PRMT5 (0.43) MEN1KMT2A
SCHEMBL6474154 0.75 PDE4B (0.46) CDK4CCND1LMNAMAPTPOLB
SCHEMBL6474174 0.74 CDK4 (0.45) CDK4CCND1LMNAMAPTPOLB

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-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO disclosed