SCHEMBL8929331

SCHEMBL8929331

BrC1Cc2ccccc2C(Nc2ncnc3[nH]ccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.48
TTBK1 Q5TCY1 6/20 0.44
TTBK2 Q6IQ55 6/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
AURKA O14965 5/20 0.42
AURKB Q96GD4 2/20 0.42
EGFR P00533 2/20 0.42
INCENP Q9NQS7 1/20 0.42
RPS6KB1 P23443 4/20 0.41
JAK3 P52333 3/20 0.39
GRIN2B Q13224 1/20 0.38

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 SCHEMBL8929839 0.99 HPGDS (0.47) HPGDSTTBK1TTBK2IRAK4AURKA
SCHEMBL8929576 0.81 HPGDS (0.54) HPGDSTTBK1TTBK2IRAK4JAK3
SCHEMBL6746641 0.81 AURKA (0.57) HPGDSTTBK1TTBK2IRAK4AURKA
SCHEMBL193515 0.81 AURKA (0.57) HPGDSTTBK1TTBK2IRAK4AURKA
Hydrochloric Acid SCHEMBL8929636 0.81 HPGDS (0.53) HPGDSTTBK1TTBK2IRAK4JAK3
SCHEMBL8930214 0.79 AURKA (0.59) HPGDSTTBK1TTBK2IRAK4AURKA
Hydrochloric Acid SCHEMBL8929656 0.78 AURKA (0.58) HPGDSTTBK1TTBK2IRAK4AURKA
SCHEMBL6642228 0.76 HPGDS (0.67) HPGDSTTBK1TTBK2IRAK4JAK3
SCHEMBL8929835 0.71 HPGDS (0.63) HPGDSTTBK1TTBK2IRAK4JAK3
Hydrochloric Acid SCHEMBL8929253 0.70 HPGDS (0.61) HPGDSTTBK1TTBK2IRAK4JAK3

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