SCHEMBL7367897

SCHEMBL7367897

CNC(=O)c1[nH]cc(CCCF)c1N

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.35
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
SLC6A4 P31645 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
SCHEMBL7450305 0.81 BRD4 (0.39) BRD4CREBBP
SCHEMBL7371836 0.73 PNP (0.33) BRD4CREBBPSLC6A4
SCHEMBL12441883 0.62 PLK1 (0.72)
SCHEMBL21060861 0.58 PPARA (0.41) MPO
SCHEMBL2575471 0.57 ALDH1A1 (0.46)
SCHEMBL21192538 0.56 GAA (0.56) BRD4
SCHEMBL11774693 0.56 BRD4 (0.35) BRD4CREBBP
SCHEMBL6642225 0.56 PADI4 (0.32)
SCHEMBL3960641 0.55 GLA (0.37) BRD4CREBBP
SCHEMBL8338794 0.55 GAA (0.55)

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-1257553-A1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK Chemicals Co., Ltd. (KR) 2002-11-20 EP disclosed
WO-2001060825-A1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO., LTD. (KR) 2001-08-23 WO disclosed