SCHEMBL3665280

SCHEMBL3665280

CC(C)C(N)SCC(=O)c1ccc2[nH]c3nc(Cl)ccc3c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PTGS2 P35354 2/20 0.33
MAPT P10636 2/20 0.33
ABCC4 O15439 1/20 0.33
C5 P01031 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE4D Q08499 1/20 0.33
LMNA P02545 1/20 0.33
GCGR P47871 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 2/20 0.32
HCRTR1 O43613 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA5A P35218 1/20 0.32

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
SCHEMBL3664810 0.84 MEN1 (0.33) KIF11KDM4EALDH1A1HPGDMEN1
SCHEMBL675927 0.83 MAP2 (0.36) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3668528 0.80 ERBB2 (0.42) RAB9ATLR8TLR7HDAC3HDAC1
SCHEMBL3665277 0.80 MAPT (0.33) KIF11KDM4EALDH1A1MEN1KMT2A
SCHEMBL3665283 0.79 KIF11 (0.35) KIF11ALDH1A1MEN1KMT2AMAPT
Diethylamine SCHEMBL3664811 0.78 HDAC3 (0.35) KIF11KDM4EALDH1A1MEN1KMT2A
SCHEMBL675108 0.78 CA1 (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL676048 0.77 GSK3B (0.41) KIF11KDM4EALDH1A1HPGDMEN1
SCHEMBL3665281 0.77 KDM4E (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3732599 0.77 CTNNB1 (0.36) KIF11KDM4EALDH1A1HPGDLMNA

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
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP disclosed