SCHEMBL15418924

SCHEMBL15418924

O=C(O)Oc1cn2cc(-c3nc[nH]n3)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
ALDH1A3 P47895 2/20 0.37
KDM4E B2RXH2 7/20 0.33
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
EGLN1 Q9GZT9 7/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
CYP2C9 P11712 1/20 0.33
NR4A2 P43354 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A2 O94788 1/20 0.33
MAP3K5 Q99683 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 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
SCHEMBL15418946 0.83 PIK3CA (0.36) ALDH1A1ALDH1A3KDM4ENPC1RAB9A
SCHEMBL1733976 0.82 PTGS1 (0.46) ALDH1A1ALDH1A3KDM4EEGLN1CYP2C9
SCHEMBL1733303 0.78 ALDH1A1 (0.38) ALDH1A1ALDH1A3KDM4ENPC1RAB9A
SCHEMBL1733882 0.75 LRRK2 (0.40) ALDH1A1ALDH1A3KDM4ENPC1RAB9A
SCHEMBL1733988 0.75 MAP3K5 (0.51) ALDH1A1ALDH1A3KDM4ENPC1RAB9A
SCHEMBL15418882 0.74 ALDH1A1 (0.37) ALDH1A1ALDH1A3KDM4ENPC1RAB9A
SCHEMBL1735826 0.74 ADORA2A (0.59) ALDH1A1ALDH1A3KDM4ENPC1RAB9A
SCHEMBL1733971 0.74 NR4A2 (0.59) ALDH1A1ALDH1A3EGLN1CYP2C9NR4A2
SCHEMBL3767499 0.74 KDM4E (0.54) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL3771146 0.74 NR4A2 (0.64) NPC1RAB9AEGLN1CYP2C9NR4A2

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-2225240-B1 Derivatives of 6-heterocyclic-imidazo[1,2-a]pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2014-01-22 EP claimed