SCHEMBL3430642

SCHEMBL3430642

Cc1cn[c]c(Cl)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
POLB P06746 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GLA P06280 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
SCHEMBL15052376 0.79 RECQL (0.35) KDM4ERECQLALDH1A1MEN1KMT2A
SCHEMBL3430643 0.72 ALDH1A1 (0.32) KDM4ERECQLL3MBTL1ALDH1A1MEN1
SCHEMBL558163 0.67
SCHEMBL10260750 0.67 KDM4E (0.35) KDM4ERECQLL3MBTL1ALDH1A1MEN1
SCHEMBL7213721 0.66 KDM4E (0.40) KDM4ERECQLL3MBTL1ALDH1A1MEN1
SCHEMBL1967464 0.65 CYP1A2 (0.35) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL22289685 0.64
SCHEMBL31368737 0.63 KDM4E (0.36) KDM4ERECQLL3MBTL1ALDH1A1MEN1
SCHEMBL1679899 0.63
SCHEMBL558164 0.63 TSHR (0.37) ALDH1A1TSHR

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-2010146351-A1 INDOLYLMETHYL-MORPHOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-12-23 WO disclosed