SCHEMBL17607253

SCHEMBL17607253

O=C(Nc1cnccc1N1CCCC1)c1ccc[nH]1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.57
PIM3 Q86V86 7/20 0.57
PIM2 Q9P1W9 5/20 0.57
GFER P55789 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
GSK3B P49841 2/20 0.50
MAPT P10636 1/20 0.50
GSK3A P49840 3/20 0.49
ATR Q13535 2/20 0.47
KDR P35968 1/20 0.46
SRPK2 P78362 1/20 0.46
SRPK1 Q96SB4 1/20 0.46
SRPK3 Q9UPE1 1/20 0.46
CHEK1 O14757 1/20 0.45
CSF1R P07333 1/20 0.44

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
SCHEMBL17607192 0.74 KCNMA1 (0.45)
SCHEMBL17607250 0.74 PIM1 (0.55) PIM1PIM3PIM2GSK3BMAPT
SCHEMBL17607208 0.73 MAPT (0.49) GSK3BMAPTGSK3AATR
SCHEMBL15103607 0.73 PIM3 (0.79) PIM1PIM3PIM2GSK3BMAPT
SCHEMBL17622798 0.72 MAPK7 (0.65) GSK3BMAPTCSF1R
SCHEMBL4445138 0.72 PIM1 (1.00) PIM1PIM3PIM2GSK3BMAPT
SCHEMBL17622464 0.72 MAPK7 (0.57) CSF1R
SCHEMBL17607258 0.72 KCNMA1 (0.42)
SCHEMBL14078174 0.72 CSF1R (0.58) PIM1PIM3PIM2NPC1RAB9A
SCHEMBL16519609 0.71 PIM1 (0.72) PIM1PIM3PIM2GSK3BGSK3A

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-3194390-A1 PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHBITION OF ERK5 Cancer Research Technology Ltd (GB) 2017-07-26 EP claimed
WO-2016042341-A1 PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHBITION OF ERK5 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-03-24 WO claimed