SCHEMBL8966518

SCHEMBL8966518

CNC(=O)c1ccccc1C(=O)C(N)Sc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
GAA P10253 1/20 0.40
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
PLK1 P53350 1/20 0.38
TYK2 P29597 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CASP1 P29466 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
JAK2 O60674 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34

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
SCHEMBL8615230 0.72 MAPK1 (0.49) POLBGAAPKN1PKN2MEN1
SCHEMBL8617510 0.71 ROCK2 (0.49) GAAMEN1KMT2AMAPK1LMNA
SCHEMBL2344909 0.70 GAA (0.71) POLBGAAKMT2APLK1HTT
SCHEMBL17737234 0.66 TYK2 (0.44) POLBGAAPKN1PKN2KMT2A
SCHEMBL30064209 0.65 GAA (0.59) GAAPLK1TYK2JAK2ALDH1A1
SCHEMBL4666198 0.65 GAA (0.59) GAAPLK1TYK2JAK2ALDH1A1
SCHEMBL10838798 0.65 POLB (0.58) POLBPKN1PKN2MEN1KMT2A
SCHEMBL5738608 0.65 GAA (0.63) POLBGAAKMT2APLK1HTT
SCHEMBL15284436 0.64 LMNA (0.52) GAAMAPK1PLK1LMNAALDH1A1
Hydrochloric Acid SCHEMBL30576696 0.64 GAA (0.57) GAAPLK1TYK2JAK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 US disclosed
EP-0522606-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-03 EP disclosed
US-5457106-A Antiinflammatory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 US disclosed
US-5389658-A Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0612729-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-31 EP disclosed
US-5246948-A Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 EP disclosed