SCHEMBL2717595

SCHEMBL2717595

Cc1nc2c(F)cccc2cc1C/C=N/O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PFKFB3 Q16875 1/20 0.34
AR P10275 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ABCB1 P08183 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL2719332 0.81 MEN1 (0.44) MEN1KMT2APFKFB3ARKDM4E
SCHEMBL1695204 0.80 KDM4E (0.35) MEN1KMT2AKDM4E
SCHEMBL13684949 0.71 KDM4E (0.52) MEN1KMT2AARKDM4E
SCHEMBL29768864 0.70 MBNL1 (0.42) MEN1KMT2AARKDM4E
SCHEMBL29768837 0.70 MBNL1 (0.42) MEN1KMT2AARKDM4E
SCHEMBL3770305 0.70 ESR1 (0.38) MEN1KMT2AARKDM4E
SCHEMBL2717594 0.70 ESR1 (0.38) MEN1KMT2AARKDM4E
SCHEMBL3770307 0.70 ESR1 (0.38) MEN1KMT2AARKDM4E
SCHEMBL28738484 0.69 ALDH1A1 (0.47) MEN1KMT2A
SCHEMBL21119427 0.69 MEN1 (0.40) MEN1KMT2AKDM4E

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-2445900-A2 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES Amgen, Inc (US) 2012-05-02 EP disclosed
WO-2010151740-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed