SCHEMBL5322845

SCHEMBL5322845

COc1cc(Cn2ccc3cccnc32)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 9/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL324010 0.78 KMT2A (0.49) LMNAMEN1KMT2AKDM4EHSD17B10
SCHEMBL38652062 0.78 KMT2A (0.49) LMNAMEN1KMT2AKDM4EHSD17B10
SCHEMBL3537897 0.77 LPO (0.55) LMNAMAPK1KMT2AKDM4EALDH1A1
SCHEMBL5138866 0.77 LMNA (0.42) CSF1RNPC1RAB9ALMNAMEN1
SCHEMBL5345269 0.76 CSF1R (0.39) CSF1RNPC1RAB9ALMNAMEN1
SCHEMBL28251110 0.76 LMNA (0.47) CSF1RNPC1RAB9ALMNAKDM4E
SCHEMBL5328756 0.76 MAPK14 (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6222891 0.75 LMNA (0.63) NPC1RAB9ALMNAMAPK1MEN1
SCHEMBL1362776 0.74 MTNR1A (0.44)
SCHEMBL30828413 0.73 ATM (0.57) LMNAMEN1KMT2AKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed