SCHEMBL4356352

SCHEMBL4356352

Nc1nc(-c2cc3ccccc3[nH]2)cn2c1cnc2[C@H]1C[C@@H](O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
TNK2 Q07912 4/20 0.39
SRC P12931 3/20 0.37
RAF1 P04049 2/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
KDR P35968 7/20 0.37
ABL1 P00519 2/20 0.37
PDPK1 O15530 1/20 0.37
EGFR P00533 1/20 0.37
INSR P06213 1/20 0.37
IGF1R P08069 1/20 0.37
MAP2K1 Q02750 1/20 0.37
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
RET P07949 6/20 0.35
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 0.35
ATR Q13535 1/20 0.35
TBK1 Q9UHD2 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
SCHEMBL4790960 0.76 RAF1 (0.44) TNK2SRCRAF1KDRABL1
SCHEMBL594916 0.72 TNK2 (0.67) TNK2SRCRAF1KDRABL1
SCHEMBL594915 0.72 TNK2 (0.67) TNK2SRCRAF1KDRABL1
SCHEMBL4391984 0.72 IGF1R (0.39) TNK2AURKBKDREGFRINSR
SCHEMBL5080364 0.71 IGF1R (0.36) TNK2AURKBKDREGFRINSR
SCHEMBL5085414 0.68 TNK2 (0.38) TNK2
SCHEMBL5083455 0.68 DHFR (0.34) INSRIGF1R
SCHEMBL595275 0.62 RAF1 (0.67) TNK2SRCRAF1KDRABL1
SCHEMBL595274 0.62 RAF1 (0.67) TNK2SRCRAF1KDRABL1
SCHEMBL23641151 0.62 GSK3B (0.62) GSK3BAURKAAURKBKDRATP4A

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
US-20090274698-A1 Combination anti-cancer therapy OSI PHARMACEUTICALS, INC. 2009-11-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 GSK3B 471/4885TNK2 144/4885SRC 151/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.