SCHEMBL20632519

SCHEMBL20632519

C=C(Nc1cnn(C)c1)N1CCCCN(C)c2ccc(-c3cccc(C(C)(C)F)c3)nc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ CSF1R P07333 2/20 0.33
▸ KIT P10721 2/20 0.33
▸ JAK3 P52333 3/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ CREBBP Q92793 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ TEK Q02763 1/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ MET P08581 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ KDM1A O60341 2/20 0.31
▸ DDR2 Q16832 2/20 0.31
▸ BTK Q06187 2/20 0.31
▸ ACSS2 Q9NR19 1/20 0.31
▸ AURKA O14965 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
SCHEMBL20632245 0.98 LRRK2 (0.33) LRRK2CLK2CSF1RKITJAK3
SCHEMBL20632313 0.89 PHGDH (0.33) CREBBPKDRTEKACP1FGFR1
SCHEMBL20632995 0.88 GRIN1 (0.31) TEK
SCHEMBL20633005 0.87 LMNA (0.38) NTRK1KDM1A
SCHEMBL20632430 0.85 HTR2C (0.40) KITTEKABL1
SCHEMBL20632193 0.85 FYN (0.37) NTRK1KDM1ABTK
SCHEMBL20632922 0.84 KDM4E (0.36) CSF1RKITKDRITGB3ITGA2B
SCHEMBL20632711 0.84 KDM1A (0.34) ACP1KDM1A
SCHEMBL20632750 0.83 GRIN1 (0.37) CSF1RKIT
SCHEMBL20632664 0.82 KDM1A (0.34) ACP1KDM1A

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-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
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