SCHEMBL1399756

SCHEMBL1399756

C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(N)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
GFER P55789 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36

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
SCHEMBL12424154 1.00 ALDH1A1 (0.40) ALDH1A1MAPTGFERTDP1LMNA
SCHEMBL16541458 0.81 CHEK1 (0.33) ALDH1A1MAPTGFERCHEK1AURKA
SCHEMBL10126831 0.81 GLA (0.40) ALDH1A1MAPTGFERCHEK1AURKA
SCHEMBL4816966 0.78 MAPT (0.52) ALDH1A1MAPTGFERTDP1LMNA
SCHEMBL2197140 0.76 ALDH1A1 (0.48) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL12424151 0.76 ALDH1A1 (0.48) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL13419747 0.76 ALDH1A1 (0.45) ALDH1A1MAPTGFERTDP1LMNA
SCHEMBL1046325 0.75 ALDH1A1 (0.49) ALDH1A1MAPTGFERTDP1LMNA
SCHEMBL1046324 0.75 ALDH1A1 (0.49) ALDH1A1MAPTGFERTDP1LMNA
SCHEMBL13419745 0.74 GFER (0.57) ALDH1A1MAPTGFERTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086540-B8 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-03-02 EP disclosed
EP-2086540-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES Galapagos N.V. (BE) 2009-08-12 EP disclosed
WO-2008065198-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 WO disclosed