SCHEMBL7743324

SCHEMBL7743324

CC(NC(=S)Nc1ccc(NC(=O)c2cscn2)cc1)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.47
KDR P35968 7/20 0.46
BRAF P15056 4/20 0.46
FLT3 P36888 4/20 0.46
KIT P10721 3/20 0.46
RAF1 P04049 3/20 0.45
MAPK1 P28482 3/20 0.43
EGFR P00533 2/20 0.42
LMNA P02545 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL7074092 0.91 MAPK1 (0.46) GRM4KDRBRAFFLT3KIT
SCHEMBL7743331 0.91 GRM4 (0.47) GRM4KDRBRAFFLT3KIT
SCHEMBL7745943 0.89 PDE2A (0.46) GRM4KDRBRAFMEN1KMT2A
SCHEMBL7743904 0.88 ALDH1A1 (0.46) GRM4LMNAMEN1KMT2APOLB
SCHEMBL7743937 0.88 POLB (0.42) GRM4LMNAMEN1KMT2APOLB
SCHEMBL7743960 0.86 KMT2A (0.44) GRM4KDRBRAFMAPK1LMNA
SCHEMBL7161969 0.85 GRM4 (0.61) GRM4KDRBRAFFLT3KIT
SCHEMBL7743967 0.85 CYP2C9 (0.47) GRM4KDRLMNAMEN1KMT2A
SCHEMBL7908147 0.85 CYP2C9 (0.47) GRM4KDRLMNAMEN1KMT2A
SCHEMBL7905383 0.85 CYP2C9 (0.47) GRM4KDRLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 CN claimed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US claimed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 CN disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed