SCHEMBL6015017

SCHEMBL6015017

Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H](NC(=O)O)C(C)(C)C)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.47
F2 P00734 3/20 0.47
VNN1 O95497 4/20 0.38
CCR1 P32246 2/20 0.36
CNR2 P34972 2/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
PIK3R1 P27986 5/20 0.32
PIK3CA P42336 5/20 0.32
EGFR P00533 1/20 0.31
CSF1R P07333 1/20 0.31

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
SCHEMBL6014963 0.95 F10 (0.51) F10F2VNN1CCR1CNR2
SCHEMBL3451230 0.90 F10 (0.49) F10F2VNN1CCR1CNR2
SCHEMBL3449100 0.88 F10 (0.47) F10F2VNN1CCR1CNR2
SCHEMBL3451241 0.88 F10 (0.47) F10F2VNN1CCR1CNR2
SCHEMBL3450382 0.85 F10 (0.45) F10F2VNN1
SCHEMBL3450333 0.85 F10 (0.49) F10F2CCR1EGFRCSF1R
SCHEMBL6015019 0.84 F10 (0.53) F10F2CCR1
SCHEMBL6015095 0.83 F10 (0.52) F10F2JAK2JAK1JAK3
SCHEMBL3448607 0.82 F10 (0.43) F10F2VNN1CCR1CNR2
SCHEMBL6015076 0.82 F10 (0.42) F10F2CCR1CNR2

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-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed