SCHEMBL13857873

SCHEMBL13857873

CC(C)(C)N1CCC[C@@H](n2cc(I)c3c(Cl)ncnc32)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 10/20 0.45
▸ SLC29A1 Q99808 1/20 0.41
▸ ABL1 P00519 4/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ LTK P29376 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MAP2K2 P36507 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33

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
SCHEMBL16236759 0.85 ADK (0.47) ADKSLC29A1ABL1DAPK3MAP4K4
SCHEMBL1939761 0.81 ADK (0.52) ADKSLC29A1ABL1DAPK3MAP4K4
SCHEMBL401328 0.81 ADK (0.52) ADKSLC29A1ABL1DAPK3MAP4K4
SCHEMBL30373169 0.80 ADK (0.51) ADKSLC29A1ABL1DAPK3MAP4K4
SCHEMBL22086530 0.80 ADK (0.51) ADKSLC29A1ABL1DAPK3MAP4K4
SCHEMBL16236685 0.80 ADK (0.51) ADKSLC29A1ABL1DAPK3MAP4K4
SCHEMBL20351805 0.80 ADK (0.47) ADKSLC29A1ABL1DAPK3MAP4K4
SCHEMBL16236581 0.80 ADK (0.49) ADKSLC29A1HTR6MTORRAB9A
SCHEMBL13858155 0.79 SRC (0.53) ADKSLC29A1ABL1SRCEGFR
SCHEMBL15516700 0.79 SRC (0.53) ADKSLC29A1ABL1SRCEGFR

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-2710005-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2014-03-26 — — EP disclosed
WO-2012158764-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2012-11-22 — — WO disclosed
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