SCHEMBL1850150

SCHEMBL1850150

O=c1[nH]cnc2c(-c3ccccc3)csc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 6/20 1.00
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GRM1 Q13255 8/20 0.52
PIM1 P11309 1/20 0.51
PIM3 Q86V86 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
LMNA P02545 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
SCHEMBL17969217 0.85 PDPK1 (0.74) PDPK1NPC1RAB9ASMN1; SMN2GRM1
SCHEMBL4208195 0.85 PDPK1 (0.74) PDPK1NPC1RAB9ASMN1; SMN2GRM1
SCHEMBL4213637 0.84 PDPK1 (0.72) PDPK1NPC1RAB9ASMN1; SMN2PIM1
SCHEMBL4211027 0.83 PDPK1 (0.71) PDPK1NPC1RAB9ASMN1; SMN2GRM1
SCHEMBL4212378 0.83 PDPK1 (0.71) PDPK1NPC1RAB9ASMN1; SMN2PIM1
SCHEMBL4215734 0.80 PKM (0.67) PDPK1NPC1RAB9ASMN1; SMN2GRM1
SCHEMBL4213459 0.80 PDPK1 (0.66) PDPK1NPC1RAB9ASMN1; SMN2PIM1
SCHEMBL2368706 0.75 RAB9A (0.97) PDPK1NPC1RAB9ASMN1; SMN2CLK4
SCHEMBL2232829 0.73 PDPK1 (0.66) PDPK1NPC1RAB9APIM1PIM3
SCHEMBL4208731 0.73 PDPK1 (0.56) PDPK1

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-2324006-B1 Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) 2014-08-13 EP disclosed
EP-2324006-A2 ANTI-CANCER DRUGS AND USES RELATING THERETO FOR METASTATIC MALIGNANT MELANOMA AND OTHER CANCERS Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) 2011-05-25 EP disclosed
WO-2010029577-A2 ANTI-CANCER DRUGS AND USES RELATING THERETO FOR METASTATIC MALIGNANT MELANOMA AND OTHER CANCERS GOKARAJU GANGA RAJU (IN) 2010-03-18 WO disclosed
EP-0882051-B1 THIOPHENOPYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2001-11-07 EP disclosed