SCHEMBL8468941

SCHEMBL8468941

COCC(Nc1nc(N)nc(N)n1)OCC(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
DHFR P00374 2/20 0.31
DCPS Q96C86 2/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31

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
SCHEMBL8469216 0.85 CDK1 (0.34) HTR7ADRA1DADRA1AADRA1BCDK1
SCHEMBL8523821 0.81 KCNH2 (0.33) HTR7ADRA1DADRA1AADRA1BCDK1
SCHEMBL10942115 0.79 HTR7 (0.32) HTR7ADRA1DADRA1AADRA1BCDK1
SCHEMBL9844634 0.78 HTR7 (0.32) HTR7ADRA1DADRA1AADRA1BDHFR
SCHEMBL1011371 0.77 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BCDK1
SCHEMBL11545711 0.72 MEN1 (0.40)
SCHEMBL11023493 0.70 CYP2D6 (0.33)
SCHEMBL11540680 0.69 MEN1 (0.38)
SCHEMBL8469223 0.69 DHFR (0.40) HTR7ADRA1DADRA1AADRA1BDHFR
SCHEMBL15437963 0.69 LMNA (0.33) HTR7ADRA1DADRA1AADRA1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6005056-A REACTION PRODUCT OF EPOXY GROUP CONTAINING ACRYLIC COPOLYMERWITH A CARBOXYL GROUP CONTAINING POLYCYCLOALIPHATIC COMPOUND;CLEAR COATS FOR AUTOMOBILES; HIGH GLOSS BOLLIG & KEMPER KG (DE) 1999-12-21 US disclosed
EP-0813552-B1 MODIFIED ACRYL COPOLYMER BOLLIG & KEMPER GMBH & CO KG (DE) 1998-12-23 EP disclosed
EP-0813552-A1 MODIFIED ACRYL COPOLYMER BOLLIG & KEMPER KG (DE) 1997-12-29 EP disclosed
WO-1996028478-A1 MODIFIED ACRYL COPOLYMER BOLLIG & KEMPER KG (DE) 1996-09-19 WO disclosed