SCHEMBL992713

SCHEMBL992713

O=C(O)NC1CCC(Nc2cc(I)cc(Cl)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.38
RAB9A P51151 1/20 0.38
S1PR2 O95136 1/20 0.37
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
HCAR3 P49019 1/20 0.36
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
MCHR1 Q99705 3/20 0.34
CDC7 O00311 2/20 0.34
GSK3B P49841 2/20 0.34
ADRA2A P08913 2/20 0.34
HRH1 P35367 2/20 0.34
HTR2B P41595 2/20 0.34
ADRA1A P35348 1/20 0.34
CHEK1 O14757 1/20 0.34
MAPK13 O15264 1/20 0.34
PDPK1 O15530 1/20 0.34
DAPK3 O43293 1/20 0.34

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
SCHEMBL992715 1.00 PRCP (0.38) PRCPRAB9AS1PR2KMT2AGAA
SCHEMBL935321 0.86 PDGFRB (0.40) PRCPKMT2APDGFRBPDGFRATDP1
SCHEMBL935319 0.86 PDGFRB (0.40) PRCPKMT2APDGFRBPDGFRATDP1
SCHEMBL935044 0.82 CDC7 (0.46) KMT2APDGFRBPDGFRACDC7GSK3B
SCHEMBL6127259 0.80 CDK2 (0.46) KMT2APDGFRBPDGFRACDC7GSK3B
SCHEMBL936047 0.79 KMT2A (0.53) KMT2APDGFRBPDGFRATDP1CDC7
SCHEMBL1048369 0.78 PRCP (0.31) PRCPRAB9AHCAR3PDGFRBPDGFRA
SCHEMBL1048368 0.77 IDH1 (0.32) HCAR3PDGFRBPDGFRACDC7GSK3B
SCHEMBL992958 0.76 ADORA3 (0.39) PRCPRAB9ATDP1CDC7GSK3B
SCHEMBL992960 0.76 ADORA3 (0.39) PRCPRAB9ATDP1CDC7GSK3B

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 3 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
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed