SCHEMBL4197293

SCHEMBL4197293

N#CCC1C=CN=C(N2CCN(c3cnccn3)CC2)N1c1nc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORD Q00796 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35

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
Acetonitrile SCHEMBL6828681 0.97 SORD (0.38) SORDIRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL4964716 0.90 SORD (0.35) SORDIRAK4DRD2DRD4DRD3
SCHEMBL4199997 0.87 HTR1A (0.42) SORDNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4199975 0.85 NPC1 (0.40) SORDNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4198007 0.85 RAB9A (0.42) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4197998 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4197211 0.83 SCN4A (0.38) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4195517 0.82 DPP4 (0.40) SORDNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4195581 0.81 USP2 (0.52) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4197930 0.79 RAB9A (0.40) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6

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 2 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
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed