SCHEMBL7848307

SCHEMBL7848307

CNC1CCc2ccccc21.c1ccc2c(c1)CCC2CNc1ncnc2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.48
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
TTBK1 Q5TCY1 3/20 0.41
TTBK2 Q6IQ55 3/20 0.41
EGFR P00533 1/20 0.40
JAK2 O60674 4/20 0.40
JAK1 P23458 4/20 0.40
JAK3 P52333 4/20 0.40
TYK2 P29597 3/20 0.40
BMX P51813 1/20 0.40
HPGDS O60760 1/20 0.40
BTK Q06187 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PTK2 Q05397 1/20 0.37

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
SCHEMBL3533458 0.92 HPGDS (0.46) TTBK1TTBK2JAK2JAK1JAK3
SCHEMBL193515 0.79 AURKA (0.57) AURKARPS6KB1TTBK1TTBK2EGFR
SCHEMBL6746641 0.79 AURKA (0.57) AURKARPS6KB1TTBK1TTBK2EGFR
SCHEMBL3535943 0.77 TTBK1 (0.49) TTBK1TTBK2JAK2JAK1HPGDS
SCHEMBL7848314 0.75 JAK3 (0.51) PDPK1JAK2JAK1JAK3TYK2
SCHEMBL8930214 0.73 AURKA (0.59) AURKARPS6KB1TTBK1TTBK2EGFR
Hydrochloric Acid SCHEMBL8929656 0.72 AURKA (0.58) AURKARPS6KB1TTBK1TTBK2EGFR
SCHEMBL12561873 0.70 JAK2 (0.61) TTBK1TTBK2JAK2JAK1HPGDS
SCHEMBL61508 0.69 PDPK1 (1.00) PDPK1
SCHEMBL29395031 0.69 PDPK1 (1.00) PDPK1

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-1087970-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 EP disclosed
WO-1999065908-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 WO disclosed