SCHEMBL2127979

SCHEMBL2127979

NC(=O)Oc1ccc2nc(-c3ccc(F)cc3)cn2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 7/20 0.53
CLK1 P49759 1/20 0.53
DYRK1A Q13627 1/20 0.53
NPC1 O15118 8/20 0.51
RAB9A P51151 7/20 0.51
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 5/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.48
APP P05067 2/20 0.48
FFAR1 O14842 1/20 0.46

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
SCHEMBL2127287 0.88 ALDH1A3 (0.58) ALDH1A3CLK1DYRK1ANPC1RAB9A
SCHEMBL2129493 0.85 ALDH1A1 (0.55) ALDH1A3NPC1RAB9AKDM4EALDH1A1
SCHEMBL2127120 0.84 NPC1 (0.71) ALDH1A3CLK1DYRK1ANPC1RAB9A
SCHEMBL27731953 0.82 CLK1 (0.59) ALDH1A3CLK1DYRK1ANPC1RAB9A
SCHEMBL2128357 0.81 NPC1 (0.57) ALDH1A3CLK1DYRK1ANPC1RAB9A
SCHEMBL1691332 0.80 DYRK1A (0.60) ALDH1A3CLK1DYRK1ANPC1RAB9A
SCHEMBL22906630 0.76 APP (0.73) ALDH1A3CLK1DYRK1ANPC1RAB9A
SCHEMBL2129038 0.76 NPC1 (0.63) ALDH1A3NPC1RAB9AKDM4EALDH1A1
SCHEMBL2127192 0.75 ALDH1A1 (0.67) ALDH1A3CLK1DYRK1ANPC1RAB9A
SCHEMBL2127074 0.74 NPC1 (0.56) ALDH1A3NPC1RAB9AKDM4EALDH1A1

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-2129375-B1 IMIDAZO[1,2-A]PYRIDINES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2012-04-25 EP claimed