SCHEMBL4430650

SCHEMBL4430650

NC(=O)c1cnc(-c2cccc(F)c2)nc1C1CNC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.46
HPGDS O60760 2/20 0.45
CHEK1 O14757 3/20 0.44
KCNH2 Q12809 2/20 0.44
ROCK2 O75116 1/20 0.42
CHEK2 O96017 1/20 0.41
SYK P43405 2/20 0.41
CDC7 O00311 1/20 0.41
PARP1 P09874 2/20 0.40
PARP2 Q9UGN5 1/20 0.40
JAK2 O60674 1/20 0.39
CSNK1D P48730 1/20 0.38
GRM5 P41594 1/20 0.38
FYN P06241 1/20 0.38

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
SCHEMBL13690045 0.72 HPGDS (0.70) MAP4K4HPGDSCHEK1CHEK2CDC7
SCHEMBL22573442 0.70 MAP4K4 (0.51) MAP4K4HPGDSCHEK2CSNK1D
SCHEMBL1365691 0.69 MAP4K4 (0.59) MAP4K4HPGDSCHEK1GRM5
SCHEMBL31324955 0.69 KMO (0.48) MAP4K4HPGDSCSNK1D
SCHEMBL3213900 0.68 HPGDS (0.54) HPGDSCSNK1D
SCHEMBL22573742 0.68 MEN1 (0.48) MAP4K4HPGDS
Hydrochloric Acid SCHEMBL3222314 0.67 HPGDS (0.53) HPGDSCSNK1D
SCHEMBL3820128 0.67 MAP4K4 (0.53) MAP4K4HPGDSCHEK1CHEK2SYK
SCHEMBL3222305 0.67 HPGDS (0.53) MAP4K4HPGDSCHEK2CSNK1D
SCHEMBL22573465 0.67 HPGDS (0.51) MAP4K4HPGDSCHEK2JAK2CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132196-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-16 EP disclosed
WO-2008104869-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-09-04 WO disclosed