SCHEMBL29987314

SCHEMBL29987314

Cn1ncc2cc(N3CCCCC3)c(NC(=O)c3ccccn3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 6/20 0.50
▸ MAPT P10636 5/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KLF5 Q13887 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ BRPF1 P55201 2/20 0.48
▸ PIM1 P11309 3/20 0.47
▸ PIM3 Q86V86 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NTRK1 P04629 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46
▸ MAP4K1 Q92918 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SRPK1 Q96SB4 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
SCHEMBL17373869 0.86 PIM1 (0.48) IRAK4MAPTBRPF1PIM1PIM3
SCHEMBL17383336 0.80 IRAK4 (0.57) IRAK4
SCHEMBL17373931 0.80 IRAK4 (0.53) IRAK4MAPTBRPF1PIM1PIM3
SCHEMBL17373928 0.80 IRAK4 (0.53) IRAK4MAPTBRPF1PIM1PIM3
Hydrochloric Acid SCHEMBL17373942 0.80 IRAK4 (0.56) IRAK4
SCHEMBL17373840 0.79 NTRK1 (0.58) IRAK4MAPTPIM1PIM3NTRK1
SCHEMBL30659518 0.79 NTRK1 (0.58) IRAK4MAPTPIM1PIM3NTRK1
SCHEMBL17373838 0.79 NTRK1 (0.58) IRAK4MAPTPIM1PIM3NTRK1
SCHEMBL16898759 0.78 IRAK4 (0.57) IRAK4
SCHEMBL16899023 0.78 IRAK4 (0.57) IRAK4

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-4319750-A1 COMBINATION THERAPIES FOR THE TREATMENT OF CANCER Curis, Inc. (US) 2024-02-14 — — EP claimed
WO-2022216379-A1 COMBINATION THERAPIES FOR THE TREATMENT OF CANCER CURIS, INC. (US) 2022-10-13 — — WO claimed
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