SCHEMBL18925331

SCHEMBL18925331

CN[C@@H]1[C@H](N(C)c2nc(Nc3ccc(C)cc3)c(C(N)=O)cc2F)CCCC1(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 12/20 0.43
▸ MAPK3 P27361 4/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ KCNH2 Q12809 4/20 0.39
▸ AURKB Q96GD4 4/20 0.39
▸ ZAP70 P43403 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ FER P16591 6/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL18925584 0.82 SYK (0.47) SYKKCNH2ZAP70JAK2LCK
SCHEMBL18926155 0.82 SYK (0.50) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL20750878 0.82 SYK (0.50) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL20750744 0.82 SYK (0.50) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL18926206 0.79 SYK (0.38) SYK
SCHEMBL20750751 0.79 SYK (0.48) SYK
SCHEMBL18925605 0.79 SYK (0.48) SYK
SCHEMBL5027550 0.78 SYK (0.50) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL5028060 0.74 SYK (0.60) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL18925663 0.74 SYK (0.49) SYKMAPK3MAPK1KCNH2AURKB

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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