SCHEMBL7006894

SCHEMBL7006894

O=c1[nH]c(C(F)(F)F)c(-c2c[nH]c3ccccc23)n1-c1c[nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.41
SIRT1 Q96EB6 1/20 0.41
PRKCB P05771 2/20 0.40
PRKD3 O94806 1/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
ABL1 P00519 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
PIM1 P11309 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
PRKCA P17252 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
CCND1 P24385 1/20 0.40
PRKCH P24723 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL7011009 0.81 SIRT2 (0.47) SIRT2SIRT1PRKCBPRKD3CCNB2
SCHEMBL7010190 0.79 NT5E (0.45) SIRT2SIRT1PRKCBPRKD3CCNB2
SCHEMBL7010672 0.74 SIRT2 (0.48) SIRT2SIRT1PRKCBPRKD3CCNB2
SCHEMBL8520286 0.72 HSP90AA1 (0.54) SIRT2SIRT1MEN1KMT2AHSP90AA1
SCHEMBL6976408 0.67 MEN1 (0.40) SIRT2SIRT1PRKCBPRKD3CCNB2
SCHEMBL20561874 0.64 NR4A2 (0.49) SIRT2SIRT1PRKCBPRKD3CCNB2
SCHEMBL6984020 0.64 CDK4 (0.48) SIRT2SIRT1PRKCBPRKD3CCNB2
SCHEMBL1202543 0.63 IMPDH2 (0.63) SIRT2SIRT1PRKCBPRKD3CCNB2
SCHEMBL17861173 0.63 ATM (0.45) SIRT2SIRT1MEN1KMT2AMAPT
SCHEMBL17179219 0.63 NR4A2 (0.50) SIRT2SIRT1PRKCBPRKD3CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042317-B1 Indole derivatives as PKC-inhiboitors ASTRAZENECA AB (SE) 2003-05-14 EP claimed
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
EP-1042317-B1 Indole derivatives as PKC-inhiboitors ASTRAZENECA AB (SE) 2003-05-14 EP disclosed