SCHEMBL4706409

SCHEMBL4706409

c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
DYRK1A Q13627 2/20 0.34
SRC P12931 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHEK1 O14757 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
LIMK1 P53667 1/20 0.32
MAPK14 Q16539 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PRKCI P41743 1/20 0.32
IDO1 P14902 2/20 0.31
TRIM33 Q9UPN9 1/20 0.31
KEAP1 Q14145 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
CDK8 P49336 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
SCHEMBL21067212 0.95 DYRK1A (0.37) ALOX15DYRK1ASRCADORA3CHEK1
SCHEMBL5138792 0.87 DYRK1A (0.32) ALOX15DYRK1ASRCADORA3
SCHEMBL15110296 0.87 ALOX15 (0.60) ALOX15DYRK1AADORA3CHEK1KDM4E
SCHEMBL8146436 0.84 ALOX15 (0.34) ALOX15DYRK1A
Purine SCHEMBL14856020 0.83 ALOX15 (0.31) ALOX15
Purine SCHEMBL14856019 0.83 ALOX15 (0.31) ALOX15PRKCI
SCHEMBL2121805 0.80
SCHEMBL65171 0.80
SCHEMBL29974816 0.78 ALOX15 (0.48) ALOX15CHEK1KDM4EALDH1A1MAPT
SCHEMBL28486243 0.78 ALOX15 (0.48) ALOX15CHEK1KDM4EALDH1A1MAPT

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-1979356-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS Pfizer Products Inc. (US) 2008-10-15 EP disclosed
WO-2007072153-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed