SCHEMBL7539246

SCHEMBL7539246

CN(C)C(=O)Nc1scc(SCc2ccncc2)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.41
KDR P35968 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
TBK1 Q9UHD2 6/20 0.36
IKBKE Q14164 3/20 0.36
GSK3B P49841 1/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7545477 0.88 PTPRC (0.44) NTRK1MAPK8MAPK10POLBKMT2A
SCHEMBL7542204 0.87 MAPK8 (0.39) NTRK1MAPK8POLBKMT2AMEN1
SCHEMBL7546778 0.87 CCNE2 (0.43) NTRK1MAPK8KMT2AMEN1CYP1A2
SCHEMBL7664571 0.86 NTRK1 (0.48) NTRK1MAPK8KMT2AMEN1HPGD
SCHEMBL7541519 0.86 MAPK8 (0.42) MAPK8MAPK10POLBCYP1A2CYP3A4
SCHEMBL7550361 0.84 MAPK8 (0.43) MAPK8MAPK9MAPK10KMT2AMEN1
SCHEMBL7542984 0.84 NTRK1 (0.35) NTRK1HPGDALDH1A1
SCHEMBL7546188 0.81 SMN1; SMN2 (0.40) NTRK1POLBKMT2ACYP1A2SMN1; SMN2
SCHEMBL7655178 0.81 PTPRC (0.49) NTRK1MAPK8KMT2AMEN1CYP1A2
SCHEMBL7540773 0.81 MAPK8 (0.39) NTRK1MAPK8MAPK10KMT2AMEN1

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
US-6380214-B1 THIOPHENE-3-CARBOXYLIC ACID AMIDE DERIVATIVES PFIZER INC. 2002-04-30 US claimed
EP-1187826-A1 HETEROCYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2002-03-20 EP claimed
WO-2000071532-A1 HETEROCYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed
US-6380214-B1 THIOPHENE-3-CARBOXYLIC ACID AMIDE DERIVATIVES PFIZER INC. 2002-04-30 US disclosed