SCHEMBL19687587

SCHEMBL19687587

Cc1c(N)ccc2c1cc(C#N)n2CC(F)F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
KDM1A O60341 4/20 0.33
TGFBR1 P36897 3/20 0.32
CDK9 P50750 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL19687598 0.86 RAB9A (0.35) RAB9ATGFBR1LMNAMAPTTSHR
SCHEMBL19687578 0.80 KDM1A (0.39) RAB9AKDM1ALMNAMAPTHTT
SCHEMBL19687618 0.73 RAB9A (0.32) RAB9A
SCHEMBL25726488 0.67 PARG (0.30)
SCHEMBL19687576 0.67 RAB9A (0.35) RAB9ALMNATSHR
SCHEMBL19687583 0.65 MEN1 (0.43) RAB9ALMNAMAPTTSHR
SCHEMBL14231639 0.65 PGR (0.31)
SCHEMBL19687591 0.63 MEN1 (0.43) RAB9AKDM1AMAPTTSHR
SCHEMBL19687593 0.63 POLB (0.41) RAB9ADYRK1ALMNAHTT
SCHEMBL19295052 0.61 MEN1 (0.39) RAB9ALMNAMAPTTSHRHTT

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-2017205972-A1 SYSTEMS METHODS AND COMPOSITIONS FOR PREDICTING METASTASIS IN BLADDER CANCER GENOMEDX BIOSCIENCES, INC. (CA) 2017-12-07 WO disclosed