SCHEMBL13069029

SCHEMBL13069029

C=C/C=C\C1=C(C)NC(=O)C12Cc1ccc(Nc3cc(C(=O)N4CCc5cc(F)ccc54)ncn3)cc1C2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 4/20 0.35
NOTUM Q6P988 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PLK1 P53350 1/20 0.32
BTK Q06187 1/20 0.31
CNR2 P34972 1/20 0.31
BRD4 O60885 2/20 0.30
EGFR P00533 1/20 0.30
CREBBP Q92793 1/20 0.30
NAMPT P43490 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
SCHEMBL13069050 0.85 SPR (0.34)
SCHEMBL13068721 0.83 NAMPT (0.31) PLK1NAMPT
SCHEMBL3042197 0.81 CALCRL (0.44)
SCHEMBL550234 0.81 CALCRL (0.44)
SCHEMBL550430 0.81 CALCRL (0.44)
SCHEMBL13846777 0.81 ALDH1A1 (0.38)
SCHEMBL10253041 0.80 EIF2AK3 (0.34) EIF2AK3NOTUMHTR2CHTR2BBTK
SCHEMBL13068645 0.77 GRM5 (0.35) BTKEGFR
SCHEMBL13068728 0.77 GRM5 (0.35) BTKEGFR
SCHEMBL13068979 0.77 MMP13 (0.41) BTKEGFR

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
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed