SCHEMBL6236093

SCHEMBL6236093

Fc1ccc(C(F)(F)F)cc1Nc1ncco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.40
CDK2 P24941 2/20 0.40
BRAF P15056 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
SCN9A Q15858 4/20 0.39
KDR P35968 3/20 0.38
CYP3A4 P08684 2/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.37
RIPK1 Q13546 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL30754748 0.78 MEN1 (0.42) CDK4CDK2BRAFMEN1KMT2A
SCHEMBL22543338 0.78 MEN1 (0.42) CDK4CDK2BRAFMEN1KMT2A
SCHEMBL30041659 0.76 EPHX2 (0.48) CDK2SCN9AKDRABL1FLT1
SCHEMBL27456494 0.76 MAPK10 (0.51) CDK4CDK2BRAFMEN1KMT2A
SCHEMBL6240725 0.75 TDO2 (0.51) BRAFKDRCYP3A4RIPK1
SCHEMBL31137106 0.74 KDM4E (0.44) SCN9A
SCHEMBL6237657 0.74 AURKA (0.57) MEN1KMT2ATSHRCYP3A4
SCHEMBL5397901 0.72 CDK2 (0.47) CDK4CDK2BRAFMEN1KMT2A
SCHEMBL30263685 0.72 MPL (0.47) CDK4CDK2SCN9AABL1FYN
SCHEMBL11377225 0.71 NPC1 (0.66) MEN1KMT2ATSHRKDR

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-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed