SCHEMBL19444729

SCHEMBL19444729

CN(Cc1ccncc1F)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.46
▸ HRH4 Q9H3N8 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ AOC3 Q16853 5/20 0.43
▸ CHEK1 O14757 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ RET P07949 1/20 0.42
▸ MET P08581 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ LTK P29376 1/20 0.42
▸ MAP2K2 P36507 1/20 0.42
▸ FLT3 P36888 1/20 0.42

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
SCHEMBL13644118 0.87 LOXL2 (0.42) HRH3HRH4ALDH1A1LMNAMAPT
SCHEMBL21674093 0.84 ALDH1A1 (0.49) HRH3HRH4ALDH1A1LMNAMAPT
SCHEMBL937666 0.76 LOXL2 (0.57) ALDH1A1MAPTLOXL2CYP2D6SLC6A2
SCHEMBL3123680 0.74 HRH3 (0.69) HRH3HRH4ALDH1A1LMNAMAPT
SCHEMBL3130725 0.73 KDM4E (0.72) HRH3HRH4ALDH1A1KDM4EHTT
SCHEMBL28918866 0.71 ABCB11 (0.58) HRH3HRH4ALDH1A1LMNAMAPT
SCHEMBL29957424 0.70 ALDH1A1 (0.45) HRH3HRH4ALDH1A1LMNAMAPT
SCHEMBL14451968 0.69 SLC6A2 (0.49) HRH3HRH4ALDH1A1LMNAMAPT
SCHEMBL21674291 0.69 LOXL2 (0.49) HRH4ALDH1A1LOXL2KDM4E
SCHEMBL11622509 0.69 SLC6A2 (0.52) HRH3HRH4ALDH1A1LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239154-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2017-11-01 — — EP disclosed
EP-2663312-B1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-10-11 — — EP disclosed
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