SCHEMBL14431616

SCHEMBL14431616

Cc1cnc2c(NCCN)nc3ccsc3n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 1.00
CHUK O15111 19/20 1.00
ERN1 O75460 1/20 0.61
RPS6KA4 O75676 1/20 0.61
PRKD3 O94806 1/20 0.61
CDK1 P06493 1/20 0.61
KIT P10721 1/20 0.61
CDK11B P21127 1/20 0.61
CDK2 P24941 1/20 0.61
TYK2 P29597 1/20 0.61
CSNK1D P48730 1/20 0.61
CDK7 P50613 1/20 0.61
CDK9 P50750 1/20 0.61
LIMK1 P53667 1/20 0.61
CDK16 Q00536 1/20 0.61
MAPK7 Q13164 1/20 0.61
CDK13 Q14004 1/20 0.61
PRKD1 Q15139 1/20 0.61
RPS6KA1 Q15418 1/20 0.61
MAPK6 Q16659 1/20 0.61

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
SCHEMBL14431750 0.88 IKBKB (0.78) IKBKBCHUKERN1RPS6KA4PRKD3
SCHEMBL14431642 0.82 IKBKB (0.69) IKBKBCHUKERN1RPS6KA4PRKD3
SCHEMBL14431694 0.79 IKBKB (0.69) IKBKBCHUKERN1RPS6KA4PRKD3
SCHEMBL14431722 0.77 IKBKB (0.66) IKBKBCHUKERN1RPS6KA4PRKD3
SCHEMBL14432365 0.77 IKBKB (1.00) IKBKBCHUK
Bms-345541 SCHEMBL29670419 0.76 IKBKB (1.00) IKBKBCHUKERN1RPS6KA4PRKD3
Bms-345541 SCHEMBL118886 0.76 IKBKB (1.00) IKBKBCHUKERN1RPS6KA4PRKD3
SCHEMBL14432162 0.75 IKBKB (0.60) IKBKBCHUKERN1RPS6KA4PRKD3
Bms-345541 SCHEMBL14141907 0.75 IKBKB (1.00) IKBKBCHUKERN1RPS6KA4PRKD3
Bms-345541 SCHEMBL30120667 0.75 IKBKB (1.00) IKBKBCHUKERN1RPS6KA4PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490371-B1 THIOPHENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2007-08-15 EP disclosed