SCHEMBL4185790

SCHEMBL4185790

N#CCC1C=CN=C(NCCc2cccc(C(F)(F)F)c2)N1c1nc2ccccc2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
APP P05067 2/20 0.33
CSNK1D P48730 1/20 0.33
MKNK2 Q9HBH9 1/20 0.32
PIK3CG P48736 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
F2 P00734 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
CCNC P24863 1/20 0.31

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
SCHEMBL4194901 0.89 LTA4H (0.38) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4184088 0.88 CSNK1D (0.40) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4192472 0.88 NPC1 (0.46) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4190204 0.85 MAPT (0.37) NPC1RAB9AMAPTLMNACYP1A2
SCHEMBL4193844 0.85 ALDH1A1 (0.39) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4192264 0.85 LMNA (0.40) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL1005758 0.83 MAPK8 (0.46) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4190281 0.83 ALDH1A1 (0.40) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4190183 0.83 MAPT (0.40) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL7704544 0.83 ILK (0.41) NPC1RAB9AMAPTALDH1A1LMNA

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-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
EP-1904181-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
WO-2007011762-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed