SCHEMBL18925591

SCHEMBL18925591

NC(=O)c1cc(F)c(N[C@@H]2CCOCC2N)nc1Nc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 19/20 0.56
▸ KCNH2 Q12809 5/20 0.56
▸ MAPK3 P27361 4/20 0.56
▸ MAPK1 P28482 4/20 0.56
▸ AURKB Q96GD4 4/20 0.56
▸ JAK2 O60674 1/20 0.53
▸ LCK P06239 1/20 0.53
▸ LYN P07948 1/20 0.53
▸ JAK1 P23458 1/20 0.53
▸ ZAP70 P43403 1/20 0.53
▸ JAK3 P52333 1/20 0.53
▸ TYRO3 Q06418 1/20 0.53
▸ FER P16591 1/20 0.45

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
SCHEMBL2715375 1.00 SYK (0.56) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL14910002 0.88 SYK (0.60) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL9109865 0.88 SYK (0.60) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL2713892 0.87 SYK (0.55) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL16164072 0.86 SYK (0.61) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL2712734 0.85 SYK (0.59) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL2715340 0.85 SYK (0.73) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL10251450 0.85 SYK (0.63) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL2713570 0.85 SYK (0.56) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL2715656 0.84 SYK (0.58) SYKKCNH2MAPK3MAPK1AURKB

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-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 — — EP disclosed
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