SCHEMBL6996032

SCHEMBL6996032

NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.66
IKBKB O14920 1/20 0.66
JAK3 P52333 1/20 0.66
NPC1 O15118 2/20 0.64
MAPT P10636 2/20 0.64
RAB9A P51151 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
PTPN5 P54829 1/20 0.64
KDR P35968 1/20 0.62
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60

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
SCHEMBL7004367 0.89 KDR (0.70) JAK2IKBKBJAK3NPC1MAPT
SCHEMBL17318541 0.83 KDR (0.69) JAK2IKBKBJAK3NPC1MAPT
SCHEMBL7004222 0.82 JAK2 (0.69) JAK2IKBKBJAK3
SCHEMBL7006938 0.82 KDR (0.65) JAK2IKBKBJAK3NPC1MAPT
SCHEMBL6998803 0.81 KDR (0.61) JAK2IKBKBJAK3NPC1MAPT
SCHEMBL1385889 0.80 JAK2 (1.00) JAK2IKBKBJAK3
SCHEMBL7003892 0.80 KDR (0.62) JAK2IKBKBJAK3NPC1MAPT
SCHEMBL5898656 0.80 JAK2 (0.64) JAK2IKBKBJAK3
SCHEMBL6506340 0.79 FLT3 (0.51) JAK2IKBKBJAK3NPC1MAPT
SCHEMBL23412899 0.79 NPC1 (1.00) JAK2IKBKBJAK3NPC1MAPT

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-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 EP claimed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed