SCHEMBL5328756

SCHEMBL5328756

Fc1cc(OCc2ccccc2)c(F)cc1Cn1ccc2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.39
LTA4H P09960 1/20 0.39
CYP3A4 P08684 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
ATM Q13315 2/20 0.38
PPIA P62937 1/20 0.36
S1PR5 Q9H228 1/20 0.36
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 1/20 0.35
MTNR1A P48039 1/20 0.35

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
SCHEMBL5345269 0.82 CSF1R (0.39) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL5322845 0.76 CSF1R (0.55) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL324010 0.75 KMT2A (0.49) CYP3A4MEN1KMT2AKDM4ECYP1A2
SCHEMBL38652062 0.75 KMT2A (0.49) CYP3A4MEN1KMT2AKDM4ECYP1A2
SCHEMBL1104760 0.71 KDM4E (0.56) MAPK14CYP3A4MEN1KMT2ANPC1
SCHEMBL38652180 0.71 KDM4E (0.56) MAPK14CYP3A4MEN1KMT2ANPC1
SCHEMBL9278020 0.69 TP53 (0.45) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL27842064 0.68 HTR1A (0.50) NPC1RAB9AS1PR5
SCHEMBL415795 0.68 LTA4H (0.34) MAPK14LTA4HMEN1KMT2ANPC1
SCHEMBL24164338 0.67 YTHDC1 (0.45) KMT2AKDM4EATMP2RX7MTNR1A

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