SCHEMBL9983256

SCHEMBL9983256

c1ncc2cnn(CC3CCNCC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 3/20 0.40
PRKD3 O94806 2/20 0.40
PRKD1 Q15139 2/20 0.40
PRKD2 Q9BZL6 2/20 0.40
ABL1 P00519 5/20 0.40
LCK P06239 2/20 0.36
SRC P12931 5/20 0.36
HCK P08631 3/20 0.36
PIK3CD O00329 2/20 0.36
EGFR P00533 2/20 0.36
KDR P35968 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
MTOR P42345 2/20 0.36
PIK3CG P48736 2/20 0.36
EPHB4 P54760 2/20 0.36
PRKDC P78527 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
CSK P41240 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL30095708 0.90 MERTK (0.37) MERTKABL1PIK3CDPIK3CAPIK3CB
SCHEMBL14617266 0.75 ABL1 (0.51) PRKD3PRKD1PRKD2ABL1LCK
SCHEMBL4185095 0.75 ALDH1A1 (0.41) SRCPIK3CAMTORPIK3CGJAK2
SCHEMBL9982985 0.71 TDP1 (0.46)
SCHEMBL31429286 0.71 ADRA2A (0.48) MERTKPRKD3PRKD1PRKD2
SCHEMBL2244617 0.70 XDH (0.46) ABL1PIK3CDEGFR
SCHEMBL31299875 0.70 MAPK8 (0.46) MERTKSRCKDRJAK2JAK1
Hydrochloric Acid SCHEMBL31299823 0.69 MAPK8 (0.45) MERTKSRCKDRJAK2JAK1
SCHEMBL22664678 0.69 MAP2K5 (0.46) LCKSRCHCKMTORCSK
SCHEMBL19222864 0.68 CRHR1 (0.40) MERTKABL1HRH3HRH4JAK2

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-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed