SCHEMBL9300988

SCHEMBL9300988

NC(=O)c1cnn2cc[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.36
JAK2 O60674 6/20 0.36
JAK1 P23458 6/20 0.36
TYK2 P29597 6/20 0.36
JAK3 P52333 6/20 0.36
RIPK2 O43353 1/20 0.36
PLAT P00750 2/20 0.35
TGFBR1 P36897 2/20 0.33
TSHR P16473 1/20 0.33
CSNK1A1 P48729 1/20 0.32
TYRO3 Q06418 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
PDPK1 O15530 1/20 0.32

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
Hydrochloric Acid SCHEMBL6284497 0.69 SMPD3 (0.37)
SCHEMBL9299545 0.64 JAK2 (0.38) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL29759466 0.64 IRAK4 (0.38) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL1693499 0.64 EPHB3 (0.51) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL11300658 0.64 EPHB3 (0.55) JAK2JAK1TYK2JAK3RIPK2
Hydrochloric Acid SCHEMBL30566533 0.63 IRAK4 (0.37) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL946897 0.63 IRAK4 (0.68) IRAK4
SCHEMBL17632551 0.62 TGFBR1 (0.50) JAK2JAK1TYK2JAK3RIPK2
SCHEMBL12699179 0.62 JAK2 (0.56) JAK2JAK1TYK2JAK3
SCHEMBL21285357 0.62 JAK2 (0.47) JAK2JAK1TYK2JAK3TGFBR1

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
US-5302712-A Intermediates for cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-12 US disclosed
US-5215982-A Antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US disclosed
EP-0427248-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-15 EP disclosed