SCHEMBL30406029

SCHEMBL30406029

CCCCOC(=O)N1CCN(c2cc(-n3nc(I)c4c(N)ncnc43)ncn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ JAK2 O60674 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ LRRK2 Q5S007 2/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ FGFR1 P11362 2/20 0.34
▸ FGFR4 P22455 2/20 0.34
▸ PIK3CD O00329 1/20 0.34

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
SCHEMBL20553506 0.83 MAP4K4 (0.52) GPR119JAK2EGFRJAK3MAP4K4
SCHEMBL23150443 0.82 JAK2 (0.42) MAPK1JAK2EGFRJAK3MAP4K4
SCHEMBL30405629 0.78 JAK2 (0.54) MAPK1JAK2EGFRJAK3MAP4K4
SCHEMBL30353312 0.76 JAK3 (0.50) JAK2JAK3FGFR1FGFR2FGFR3
SCHEMBL30405165 0.73 FGFR1 (0.49) JAK2JAK3FGFR1FGFR2FGFR3
SCHEMBL29867706 0.72 PIK3CD (0.39) JAK2EGFRJAK3OPRD1OPRK1
SCHEMBL29742069 0.69 SMN1; SMN2 (0.47) MAPTPOLBGPR119LMNASMN1; SMN2
SCHEMBL29742023 0.68 SMN1; SMN2 (0.55) POLBGPR119LMNASMN1; SMN2ALDH1A1
SCHEMBL29741845 0.68 HRH3 (0.53) MAPTPOLBGPR119LMNASMN1; SMN2
SCHEMBL28615895 0.66 SMN1; SMN2 (0.48) MAPTPOLBMAPK1LMNASMN1; SMN2

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-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 — — EP disclosed
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