SCHEMBL21100183

SCHEMBL21100183

CC(C)Oc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2SC(C)C)c2sccc2n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 10/20 0.56
▸ DCLK1 O15075 1/20 0.47
▸ MAPK7 Q13164 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.47
▸ INSR P06213 6/20 0.46
▸ IGF1R P08069 5/20 0.46
▸ TTK P33981 3/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ FGFR2 P21802 1/20 0.46
▸ FGFR4 P22455 1/20 0.46
▸ FGFR3 P22607 1/20 0.46
▸ FES P07332 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ PLK1 P53350 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ EGFR P00533 3/20 0.43
▸ PTK2 Q05397 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
SCHEMBL21099605 0.95 ALK (0.62) ALKINSRIGF1RTTKFES
SCHEMBL21099489 0.92 ALK (0.54) ALKDCLK1MAPK7LRRK2INSR
SCHEMBL21100193 0.87 IRAK4 (0.59) ALKLRRK2PLK1IRAK4EGFR
SCHEMBL21099658 0.86 ALK (0.60) ALKDCLK1MAPK7LRRK2INSR
SCHEMBL21099498 0.86 ALK (0.60) ALKDCLK1MAPK7LRRK2INSR
SCHEMBL21099499 0.86 ALK (0.75) ALKINSRIGF1RPLK1EGFR
SCHEMBL21099660 0.85 ALK (0.76) ALKDCLK1MAPK7LRRK2INSR
SCHEMBL21099502 0.85 ALK (0.59) ALKDCLK1LRRK2INSRIGF1R
SCHEMBL21099810 0.84 IRAK4 (0.46) ALKTTKPLK1IRAK4EGFR
SCHEMBL21099501 0.83 ALK (0.52) ALKINSRIGF1REGFRPTK2

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-3498716-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS Hongyun Biotech Co., Ltd. (CN) 2019-06-19 — — EP disclosed
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