SCHEMBL8929171

SCHEMBL8929171

O=C1Cc2cc(Nc3ncnc4[nH]ccc34)ccc2N1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.60
TTBK1 Q5TCY1 14/20 0.52
TTBK2 Q6IQ55 14/20 0.52
EGFR P00533 2/20 0.52
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
INCENP Q9NQS7 1/20 0.51
PTK2B Q14289 1/20 0.50
PTK2 Q05397 1/20 0.49
BRAF P15056 1/20 0.47
TNNI3K Q59H18 1/20 0.47

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 SCHEMBL8929519 0.99 BCL6 (0.58) BCL6TTBK1TTBK2EGFRAURKA
SCHEMBL7822353 0.79 BCL6 (0.57) BCL6EGFRAURKAAURKBPTK2B
Hydrochloric Acid SCHEMBL8477066 0.78 BCL6 (0.56) BCL6EGFRAURKAAURKBPTK2B
SCHEMBL8929209 0.76 EGFR (0.63) TTBK1TTBK2EGFRAURKAAURKB
SCHEMBL8929278 0.75 TRPA1 (0.56) BRAFTNNI3K
SCHEMBL8930219 0.75 SMYD3 (0.41) BCL6PTK2
Hydrochloric Acid SCHEMBL8928980 0.75 EGFR (0.62) TTBK1TTBK2EGFRAURKAAURKB
SCHEMBL12085389 0.75 SYK (0.56) BCL6PTK2BPTK2
SCHEMBL7821617 0.75 EGFR (0.55) BCL6EGFRPTK2BPTK2
Hydrochloric Acid SCHEMBL8474210 0.74 EGFR (0.54) BCL6EGFRPTK2BPTK2

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