SCHEMBL2907966

SCHEMBL2907966

NCc1ccc2c(c1)CCCC(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
KIF11 P52732 5/20 0.44
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
PKM P14618 2/20 0.42
IDO1 P14902 1/20 0.42
LMNA P02545 2/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
GSK3B P49841 1/20 0.41
F11 P03951 1/20 0.40
THRB P10828 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL2037485 0.90 MAOA (0.51) MAPTKIF11MAOAMAOBDDB1
Hydrochloric Acid SCHEMBL2042591 0.89 MAOA (0.50) MAPTKIF11MAOAMAOBDDB1
SCHEMBL2056398 0.84 KIF11 (0.56) MAPTKIF11MAOAMAOBPKM
SCHEMBL260951 0.81 AHR (0.56) MAOBSMYD3
SCHEMBL10264823 0.81 MAPT (0.50) MAPTKIF11MAOAMAOBPKM
SCHEMBL5766779 0.81 MAPT (0.50) MAPTKIF11MAOAMAOBPKM
SCHEMBL21024967 0.80 MAPT (0.49) MAPTKIF11MAOAMAOBPKM
SCHEMBL31231828 0.78 CA9 (0.59) MAPTKIF11PKMIDO1CRBN
SCHEMBL519951 0.78 CA9 (0.59) MAPTKIF11PKMIDO1CRBN
SCHEMBL10333350 0.78 MAPT (0.46) MAPTKIF11MAOAMAOBPKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed