SCHEMBL8615376

SCHEMBL8615376

COc1ccc(C=C2NC(=O)SC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 1.00
DYRK1A Q13627 3/20 1.00
CSNK2A2 P19784 2/20 1.00
CSNK2B P67870 2/20 1.00
CSNK2A1 P68400 2/20 1.00
DYRK1B Q9Y463 2/20 1.00
DYRK2 Q92630 1/20 1.00
PIM1 P11309 3/20 0.69
PIM2 Q9P1W9 3/20 0.69
AKR1B1 P15121 2/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
GSK3B P49841 2/20 0.59
HPGD P15428 1/20 0.55
POLB P06746 2/20 0.54
METAP1 P53582 1/20 0.53
MAPT P10636 3/20 0.49
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL7466029 0.83 CSNK2A1 (0.71) CLK1DYRK1ACSNK2A2CSNK2BCSNK2A1
SCHEMBL1247708 0.81 PIM1 (1.00) CLK1DYRK1ACSNK2A2CSNK2BCSNK2A1
SCHEMBL2546911 0.81 PIM1 (1.00) CLK1DYRK1ACSNK2A2CSNK2BCSNK2A1
SCHEMBL1247705 0.81 PIM1 (1.00) CLK1DYRK1ACSNK2A2CSNK2BCSNK2A1
SCHEMBL7519991 0.79 CSNK2A2 (0.65) CLK1DYRK1ACSNK2A2CSNK2BCSNK2A1
SCHEMBL4156417 0.79 CSNK2A2 (0.65) CLK1DYRK1ACSNK2A2CSNK2BCSNK2A1
SCHEMBL5672827 0.78 PIM1 (0.72) CLK1DYRK1ACSNK2A2CSNK2BCSNK2A1
SCHEMBL2684656 0.78 RAB9A (0.74) CLK1DYRK1ACSNK2A2CSNK2BCSNK2A1
SCHEMBL5509142 0.78 PIM1 (0.91) CLK1DYRK1ACSNK2A2CSNK2BCSNK2A1
SCHEMBL8272567 0.78 PIM1 (0.91) CLK1DYRK1ACSNK2A2CSNK2BCSNK2A1

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
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed
EP-0612729-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-04-23 EP disclosed
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 US 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