SCHEMBL11888169

SCHEMBL11888169

CC(C)(C)NC(=O)[C@H]1CC[C@H](NC(=O)C2Cc3cc(Cl)ccc3N2)[C@H](BOCN)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.33
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ ACKR3 P25106 1/20 0.30

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
SCHEMBL12507531 0.71 F10 (0.36) F10
SCHEMBL10280029 0.70 CCR1 (0.39) —
SCHEMBL11959792 0.69 DRD2 (0.34) —
SCHEMBL12507711 0.67 MAOA (0.33) F10
SCHEMBL12101100 0.67 EPHX2 (0.36) —
SCHEMBL12507710 0.67 STS (0.41) F10
SCHEMBL12833317 0.66 SMYD3 (0.32) —
SCHEMBL764562 0.66 RAB9A (0.47) —
SCHEMBL12056140 0.65 STS (0.39) F10
SCHEMBL3256076 0.64 PDE5A (0.41) —

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-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 — — EP disclosed
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