SCHEMBL6028575

SCHEMBL6028575

Cn1c(C(N)=S)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 2/20 0.53
KLK5 Q9Y337 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
ATM Q13315 1/20 0.49
KDM4E B2RXH2 4/20 0.47
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 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
SCHEMBL2676424 0.82 KLK5 (0.57) SMN1; SMN2ALDH1A1KLK5NPC1RAB9A
SCHEMBL30444890 0.82 KLK5 (0.57) SMN1; SMN2ALDH1A1KLK5NPC1RAB9A
Hydrochloric Acid SCHEMBL5008243 0.81 KLK5 (0.56) SMN1; SMN2ALDH1A1KLK5NPC1RAB9A
SCHEMBL6990517 0.78 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KLK5NPC1RAB9A
SCHEMBL19982873 0.76 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL2729927 0.76 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KLK5NPC1RAB9A
SCHEMBL760729 0.76 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KLK5NPC1RAB9A
SCHEMBL7738315 0.75 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KLK5NPC1RAB9A
SCHEMBL16488211 0.75 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KLK5NPC1RAB9A
SCHEMBL3534177 0.75 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1KLK5NPC1RAB9A

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-1709040-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE Sirenade Pharmaceuticals AG (DE) 2006-10-11 EP disclosed
WO-2005068458-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE SIRENADE PHARMACEUTICALS AG (DE) 2005-07-28 WO disclosed
EP-1555264-A1 Five-membered heterocyclic compounds as inhibitors of SRC family protein kinase. Sireen AG (DE) 2005-07-20 EP disclosed