SCHEMBL27711325

SCHEMBL27711325

CCC(C)(C(=O)O)n1cc(Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.36
PLAU P00749 4/20 0.36
F2 P00734 1/20 0.36
KLKB1 P03952 1/20 0.36
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3766982 0.81 LMNA (0.43) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL21819552 0.75 ALDH1A1 (0.35) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL21995832 0.74 ELANE (0.40) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL13412138 0.73 CYP4F2 (0.43) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL18614491 0.73 ELANE (0.33) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL18622410 0.73 ELANE (0.39) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL673370 0.70 ALDH1A1 (0.35) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL1582031 0.70 KIT (0.43) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL20519689 0.70 MAP4K4 (0.38) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL20520051 0.70 ELANE (0.37) ELANEPLAUF2KLKB1ALDH1A1

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
CN-101018780-B Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors PFIZER 2012-01-11 CN disclosed
CN-101018780-A Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMA (US) 2007-08-15 CN disclosed