SCHEMBL18831893

SCHEMBL18831893

COc1cc(N2CCC3(CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2[PH](C)(C)O)c2cc[nH]c2n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 9/20 0.61
▸ PTK2 Q05397 4/20 0.58
▸ ALK Q9UM73 4/20 0.57
▸ TTK P33981 2/20 0.56
▸ MAP4K1 Q92918 1/20 0.54
▸ EGFR P00533 1/20 0.52
▸ INSR P06213 1/20 0.52
▸ MAPK8 P45983 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ JAK3 P52333 1/20 0.52

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
SCHEMBL17410930 0.85 PTK2 (0.78) IGF1RPTK2ALKMAP4K1EGFR
SCHEMBL11919325 0.78 PTK2 (0.84) IGF1RPTK2ALKMAP4K1EGFR
SCHEMBL30372123 0.77 MAP4K1 (0.72) IGF1RPTK2ALKTTKMAP4K1
SCHEMBL16998990 0.76 PTK2 (0.80) IGF1RPTK2ALKMAP4K1EGFR
SCHEMBL11919345 0.74 PTK2 (0.77) IGF1RPTK2ALKMAP4K1EGFR
SCHEMBL12429284 0.74 IGF1R (0.85) IGF1RPTK2ALKINSRMAPK8
SCHEMBL11919322 0.74 PTK2 (0.83) IGF1RPTK2ALKTTKMAP4K1
SCHEMBL16998993 0.73 PTK2 (0.65) IGF1RPTK2ALKEGFRJAK3
SCHEMBL22518901 0.73 EGFR (0.75) IGF1RPTK2ALKTTKEGFR
SCHEMBL11919218 0.73 PTK2 (0.81) IGF1RPTK2ALKTTKMAP4K1

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-3165530-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE Qilu Pharmaceutical Co., Ltd (CN) 2017-05-10 — — EP disclosed
Send feedback