SCHEMBL6127366

SCHEMBL6127366

CC1(C)OB(c2cc(Cl)nc(NC3CCC(NC(=O)O)CC3)c2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.35
RAB9A P51151 1/20 0.34
S1PR2 O95136 1/20 0.34
USP30 Q70CQ3 1/20 0.33
HCAR3 P49019 1/20 0.33
CCNT1 O60563 1/20 0.33
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
MCHR1 Q99705 3/20 0.32
ADRA2A P08913 2/20 0.32
HRH1 P35367 2/20 0.32
HTR2B P41595 2/20 0.32
ADRA1A P35348 1/20 0.32
CDK9 P50750 7/20 0.32
CDC7 O00311 5/20 0.32
DAPK3 O43293 5/20 0.32
ROCK2 O75116 5/20 0.32
PRKD3 O94806 5/20 0.32
PAK4 O96013 5/20 0.32
PIM1 P11309 5/20 0.32

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
SCHEMBL6127376 1.00 PRCP (0.35) PRCPRAB9AS1PR2USP30HCAR3
SCHEMBL952528 0.86 CDC7 (0.42) CCNT1PDGFRBPDGFRACDK9CDC7
SCHEMBL951702 0.83 MEN1 (0.43) RAB9APDGFRBPDGFRACDC7DAPK3
SCHEMBL1044830 0.83 USP30 (0.32) USP30
SCHEMBL1044831 0.83 USP30 (0.32) USP30
SCHEMBL1045105 0.81 PRMT5 (0.40) USP30CDK9CDC7DAPK3ROCK2
SCHEMBL1045103 0.81 PRMT5 (0.40) USP30CDK9CDC7DAPK3ROCK2
Cyclohexylamine SCHEMBL1043815 0.79 NUDT1 (0.40) CCNT1PDGFRBPDGFRACDK9CDC7
SCHEMBL1045104 0.75 USP30 (0.35) USP30
SCHEMBL992715 0.74 PRCP (0.38) PRCPRAB9AS1PR2HCAR3PDGFRB

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-2454257-B1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2013-08-21 EP disclosed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed