SCHEMBL8929392

SCHEMBL8929392

Brc1cc(Nc2ncnc3[nH]ccc23)cc2c1CCC2

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.58
AURKA O14965 1/20 0.57
AURKB Q96GD4 1/20 0.57
INCENP Q9NQS7 1/20 0.57
TTBK1 Q5TCY1 18/20 0.51
TTBK2 Q6IQ55 18/20 0.51

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
Hydrochloric Acid SCHEMBL8929775 0.99 EGFR (0.57) EGFRAURKAAURKBINCENPTTBK1
SCHEMBL8929209 0.81 EGFR (0.63) EGFRAURKAAURKBINCENPTTBK1
SCHEMBL8929866 0.81 EGFR (0.51) EGFRAURKAAURKBINCENPTTBK1
Hydrochloric Acid SCHEMBL8928980 0.80 EGFR (0.62) EGFRAURKAAURKBINCENPTTBK1
Hydrochloric Acid SCHEMBL8929855 0.80 EGFR (0.50) EGFRAURKAAURKBINCENPTTBK1
SCHEMBL4787013 0.74 EGFR (0.59) EGFRAURKAAURKBINCENPTTBK1
Hydrochloric Acid SCHEMBL8929628 0.73 EGFR (0.58) EGFRAURKAAURKBINCENPTTBK1
SCHEMBL8929386 0.72 EGFR (0.62) EGFRAURKAAURKBINCENPTTBK1
SCHEMBL23408992 0.69 TTBK1 (0.62) EGFRAURKAAURKBINCENPTTBK1
SCHEMBL168084 0.69 TTBK1 (1.00) EGFRAURKAAURKBINCENPTTBK1

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-0795556-A1 4-Substituted pyrrolopyrimidine compounds as tyrosin kinase inhibitors PHARMACIA & UPJOHN S.p.A. (IT) 1997-09-17 EP claimed
EP-0795556-A1 4-Substituted pyrrolopyrimidine compounds as tyrosin kinase inhibitors PHARMACIA & UPJOHN S.p.A. (IT) 1997-09-17 EP disclosed